Geometry & MOs

Info

ID:	55393
PubChem CID:	17395329
Reduced:	F2N3O3C17H19 (1)
Stoich.:	A2B3C3D17E19 (1)
Weight, g/mol:	349.101561
ΔH_f, kcal/mol:	-187.24
Dipole, Da:	6.26
IP(EA), eV:	-9.96(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C1CC1)NC(=O)CN2C(=O)C(NC2=O)(C)C3=C(C=CC(=C3)F)F

DOS

IR

Vibrations