Geometry & MOs

Info

ID:	75277
PubChem CID:	48423270
Reduced:	ClN3O3C21H24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	332.209993
ΔH_f, kcal/mol:	-88.55
Dipole, Da:	2.06
IP(EA), eV:	-8.93(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3Cl

DOS

IR

Vibrations