Geometry & MOs

Info

ID:	235595
PubChem CID:	92710126
Reduced:	ON2C19H24 (1)
Stoich.:	AB2C19D24 (1)
Weight, g/mol:	362.163043
ΔH_f, kcal/mol:	-16.58
Dipole, Da:	5.68
IP(EA), eV:	-8.71(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[(3S)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanoyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@@H](CC(=O)N2CCCCC2)N3C=CC=C3

DOS

IR

Vibrations