Geometry & MOs

Info

ID:	75898
PubChem CID:	48424129
Reduced:	ClO3N4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	323.140055
ΔH_f, kcal/mol:	-81.85
Dipole, Da:	2.59
IP(EA), eV:	-9.07(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(6-chloropyridin-2-yl)piperazin-1-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations