Geometry & MOs

Info

ID:	122135
PubChem CID:	50796056
Reduced:	O3N4C28H32 (1)
Stoich.:	A3B4C28D32 (1)
Weight, g/mol:	492.192818
ΔH_f, kcal/mol:	-56.73
Dipole, Da:	4.0
IP(EA), eV:	-8.32(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-3-[6-ethoxy-3,4-dimethyl-1-(3-methylphenyl)pyrazolo[3,4-b]pyridin-5-yl]propanamide

Drug info:

PubChemData

Smile

CCOC1=NC2=C(C(=C1CCC(=O)NC3=C(C=CC(=C3)C)OC)C)C(=NN2C4=CC=CC(=C4)C)C

DOS

IR

Vibrations