Geometry & MOs

Info

ID:	68536
PubChem CID:	46508607
Reduced:	N2O5H22C26 (1)
Stoich.:	A2B5C22D26 (1)
Weight, g/mol:	442.172642
ΔH_f, kcal/mol:	-101.57
Dipole, Da:	3.17
IP(EA), eV:	-8.62(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide

Drug info:

PubChemData

Smile

CCN(CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O

DOS

IR

Vibrations