Geometry & MOs

Info

ID:	78171
PubChem CID:	49681760
Reduced:	FSN4O4C19H21 (1)
Stoich.:	ABC4D4E19F21 (1)
Weight, g/mol:	421.12269
ΔH_f, kcal/mol:	-78.58
Dipole, Da:	6.05
IP(EA), eV:	-8.93(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-chloro-4-methoxyphenyl)-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]oxamide

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])CC3=CSC=C3

DOS

IR

Vibrations