Geometry & MOs

Info

ID:	133241
PubChem CID:	51496883
Reduced:	OSN4C20H21 (1)
Stoich.:	ABC4D20E21 (1)
Weight, g/mol:	364.135782
ΔH_f, kcal/mol:	72.91
Dipole, Da:	5.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.021821
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-phenyl-5-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC1=C2C=C(C(=O)N=C2N(N1)C3=CC=CC=C3)C[NH2+][C@H](C)C4=CC=CS4

DOS

IR

Vibrations