Geometry & MOs

Info

ID:	122134
PubChem CID:	50795967
Reduced:	O2N6C29H34 (1)
Stoich.:	A2B6C29D34 (1)
Weight, g/mol:	472.247441
ΔH_f, kcal/mol:	1.27
Dipole, Da:	8.15
IP(EA), eV:	-8.86(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-ethoxy-3,4-dimethyl-1-(3-methylphenyl)pyrazolo[3,4-b]pyridin-5-yl]-N-(2-methoxy-5-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CCCC3=NN=C4N3C=CN(C4=O)C5=CC(=C(C=C5)C)C

DOS

IR

Vibrations