Geometry & MOs

Info

ID:	75287
PubChem CID:	48423280
Reduced:	N2O4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	336.160456
ΔH_f, kcal/mol:	-115.63
Dipole, Da:	2.86
IP(EA), eV:	-8.76(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)OCC4CC4

DOS

IR

Vibrations