Geometry & MOs

Info

ID:	235619
PubChem CID:	92710181
Reduced:	ClON2H19C20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	318.173213
ΔH_f, kcal/mol:	15.04
Dipole, Da:	4.2
IP(EA), eV:	-9.16(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(2,4-dimethylphenyl)-3-phenyl-3-pyrrol-1-ylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)C[C@H](C2=CC=CC=C2)N3C=CC=C3

DOS

IR

Vibrations