Geometry & MOs

Info

ID:	174751
PubChem CID:	75809776
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	360.150764
ΔH_f, kcal/mol:	12.61
Dipole, Da:	11.35
IP(EA), eV:	-7.35(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3CCC[NH+]3CC4=NC=C[NH2+]4

DOS

IR

Vibrations