Geometry & MOs

Info

ID:	74439
PubChem CID:	48421879
Reduced:	FNO3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	308.155849
ΔH_f, kcal/mol:	-134.32
Dipole, Da:	4.11
IP(EA), eV:	-8.96(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC1=CC(=C(C=C1)OC)F)OCC2CC2

DOS

IR

Vibrations