Geometry & MOs

Info

ID:	75201
PubChem CID:	48423167
Reduced:	ClNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-68.85
Dipole, Da:	4.19
IP(EA), eV:	-9.32(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1Cl)C(=O)C(C)OCC2CC2

DOS

IR

Vibrations