Geometry & MOs

Info

ID:

446802

PubChem CID:

135277819

Reduced:

O3N7H19C24 (1)

Stoich.:

A3B7C19D24 (1)

Weight, g/mol:

527.25081

ΔHf, kcal/mol:

65.7

Dipole, Da:

3.96

IP(EA), eV:

 -9.45(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclopropyl-[(2S)-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-5-[5-(trifluoromethyl)pyridin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]methanol

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C1=CC=CC(=C1)CN2C=C(N=N2)C3=NC(=NC(=C3)C4=CC=CC(=C4)C#N)N

DOS

IR

Vibrations