Geometry & MOs

Info

ID:	169560
PubChem CID:	75120261
Reduced:	O4N7C19H24 (1)
Stoich.:	A4B7C19D24 (1)
Weight, g/mol:	370.164105
ΔH_f, kcal/mol:	-59.73
Dipole, Da:	7.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.869638
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethoxyphenyl)-N-(1,4-dimethyl-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CN1C2=NC=[N+](C2C(=O)N(C1=O)C)CC(=O)N3CCC(CC3)C4=NN=C(O4)C5CC5

DOS

IR

Vibrations