Geometry & MOs

Info

ID:	243222
PubChem CID:	99217212
Reduced:	ClN2O3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	439.200825
ΔH_f, kcal/mol:	-102.11
Dipole, Da:	4.38
IP(EA), eV:	-8.88(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-dimethyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)NCC(=O)N1CCCC2=CC=CC=C21)OC3=CC=C(C=C3)Cl

DOS

IR

Vibrations