Geometry & MOs

Info

ID:

447100

PubChem CID:

135280294

Reduced:

O4N5C37H47 (1)

Stoich.:

A4B5C37D47 (1)

Weight, g/mol:

652.41009

ΔHf, kcal/mol:

-124.42

Dipole, Da:

6.64

IP(EA), eV:

 -8.7(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpiperidin-4-yl)amino]-2-methyl-5-[3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CCN(C1CCN(CC1)C(=O)C=C)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CC=CC(=C4)CN5CCOCC5

DOS

IR

Vibrations