Geometry & MOs

Info

ID:	190455
PubChem CID:	78008056
Reduced:	O4C19H20 (1)
Stoich.:	A4B19C20 (1)
Weight, g/mol:	517.236542
ΔH_f, kcal/mol:	-139.13
Dipole, Da:	4.6
IP(EA), eV:	-8.88(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[2,3-dimethyl-5-[1-(6-methylpyridin-3-yl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC2=CC3=C(C=C2)C(CCO3)CC(=O)O

DOS

IR

Vibrations