Geometry & MOs

Info

ID:	120862
PubChem CID:	50747150
Reduced:	NOC10H12 (2)
Stoich.:	ABC10D12 (2)
Weight, g/mol:	324.183778
ΔH_f, kcal/mol:	-48.85
Dipole, Da:	5.22
IP(EA), eV:	-8.98(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methoxyphenyl)methyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CCCN2C(=O)NCCC3=CC=CC=C3

DOS

IR

Vibrations