Geometry & MOs

Info

ID:	235476
PubChem CID:	92709763
Reduced:	ON2C21H22 (1)
Stoich.:	AB2C21D22 (1)
Weight, g/mol:	318.173213
ΔH_f, kcal/mol:	12.38
Dipole, Da:	3.84
IP(EA), eV:	-8.77(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-benzyl-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C[C@@H](C2=CC=CC=C2C)N3C=CC=C3

DOS

IR

Vibrations