Geometry & MOs

Info

ID:	434984
PubChem CID:	135176145
Reduced:	NO2C7H11 (1)
Stoich.:	AB2C7D11 (1)
Weight, g/mol:	562.224787
ΔH_f, kcal/mol:	-73.22
Dipole, Da:	1.06
IP(EA), eV:	-10.0(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-chloro-3-(6-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)phenyl]-2-methylphenyl]-5-(pyrrolidin-1-ylmethyl)-1,3-benzoxazole-7-carbonitrile

Drug info:

PubChemData

Smile

CCC(=O)/C=C/C(=O)NC

DOS

IR

Vibrations