Geometry & MOs

Info

ID:	139094
PubChem CID:	52471345
Reduced:	ON2F3C7H8 (2)
Stoich.:	AB2C3D7E8 (2)
Weight, g/mol:	385.182398
ΔH_f, kcal/mol:	-375.19
Dipole, Da:	8.86
IP(EA), eV:	-9.83(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-phenylbutyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CN(CC1=NC=CN1CC(F)(F)F)C(=O)[C@H]2CC(=O)N(C2)CC(F)(F)F

DOS

IR

Vibrations