Geometry & MOs

Info

ID:	140877
PubChem CID:	52776017
Reduced:	N3O3C19H32 (1)
Stoich.:	A3B3C19D32 (1)
Weight, g/mol:	473.24269
ΔH_f, kcal/mol:	-133.02
Dipole, Da:	7.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.126103
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,4-dimethoxyphenyl)methyl]-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](CNC(=O)[C@H](CC(C)C)NC(=O)OC)[NH+](C)C

DOS

IR

Vibrations