Geometry & MOs

Info

ID:	235483
PubChem CID:	92709783
Reduced:	O2N3H21C23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	392.209993
ΔH_f, kcal/mol:	45.67
Dipole, Da:	6.03
IP(EA), eV:	-8.9(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H](CC(=O)NC2=CC=C(C=C2)C3=CC=NO3)N4C=CC=C4

DOS

IR

Vibrations