Geometry & MOs

Info

ID:	161909
PubChem CID:	57393037
Reduced:	NO4C31H31 (1)
Stoich.:	AB4C31D31 (1)
Weight, g/mol:	481.225308
ΔH_f, kcal/mol:	-98.69
Dipole, Da:	8.62
IP(EA), eV:	-8.96(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-(5-benzhydryl-2-oxopyridin-1-yl)propyl]phenoxy]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)C3=CN(C(=O)C=C3)CCCC4=CC(=CC=C4)OCC(=O)O

DOS

IR

Vibrations