Geometry & MOs

Info

ID:

164253

PubChem CID:

74382585

Reduced:

O5N6C31H43 (2)

Stoich.:

A5B6C31D43 (2)

Weight, g/mol:

465.216475

ΔHf, kcal/mol:

-448.18

Dipole, Da:

14.43

IP(EA), eV:

 -9.42(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclopropyl-6-oxo-N-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]-3H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(C(=O)N1CC(CC1C(=O)NC2CCCC3=CC=CC=C23)NC(=O)CNC(=O)C4=CC(=CC=C4)C(=O)NCC(=O)NC5CC(N(C5)C(=O)C(C(C)(C)C)NC(=O)C(C)NC)C(=O)NC6CCCC7=CC=CC=C67)C(C)(C)C)NC

DOS

IR

Vibrations