Geometry & MOs

Info

ID:	121825
PubChem CID:	50782774
Reduced:	N3O3C25H31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	366.194343
ΔH_f, kcal/mol:	-105.2
Dipole, Da:	2.38
IP(EA), eV:	-8.54(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(3-methylphenyl)pyrrolidin-1-yl]-2-(2-methylpropanoylamino)benzoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)N3CCC(CC3)N4CCCCC4)C(=O)O

DOS

IR

Vibrations