Geometry & MOs

Info

ID:	43965
PubChem CID:	10322480
Reduced:	O4N6H22C25 (1)
Stoich.:	A4B6C22D25 (1)
Weight, g/mol:	470.268176
ΔH_f, kcal/mol:	-50.96
Dipole, Da:	6.83
IP(EA), eV:	-8.71(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[N-butan-2-yl-4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]-2-phenylacetic acid

Drug info:

PubChemData

Smile

C1CC2(C(=O)NC(=O)NC2=O)N(C1)C3=CN=C(C=C3)OC4=CC5=C(CN(C5)C6=CC=NC=C6)C=C4

DOS

IR

Vibrations