Geometry & MOs

Info

ID:	319929
PubChem CID:	126657612
Reduced:	NO2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	475.186906
ΔH_f, kcal/mol:	-144.21
Dipole, Da:	7.77
IP(EA), eV:	-9.22(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[[5-[(3Z)-3-(7-pyridin-2-ylimidazo[4,5-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]amino]methanol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2CC23C1=CC(C4=C(C=CC=C34)C(=O)NC)O

DOS

IR

Vibrations