Geometry & MOs

Info

ID:	235592
PubChem CID:	92710119
Reduced:	NOC11H12 (2)
Stoich.:	ABC11D12 (2)
Weight, g/mol:	346.204513
ΔH_f, kcal/mol:	-26.95
Dipole, Da:	1.34
IP(EA), eV:	-8.62(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@@H](CC(=O)NC2=C(C=CC(=C2)C)OC)N3C=CC=C3

DOS

IR

Vibrations