Geometry & MOs

Info

ID:	367493
PubChem CID:	127324825
Reduced:	O3N4C19H30 (1)
Stoich.:	A3B4C19D30 (1)
Weight, g/mol:	358.236876
ΔH_f, kcal/mol:	-174.36
Dipole, Da:	6.72
IP(EA), eV:	-9.47(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]butanamide

Drug info:

PubChemData

Smile

C1CN(CC1NC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3)C(=O)N

DOS

IR

Vibrations