Geometry & MOs

Info

ID:	74487
PubChem CID:	48421946
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-76.43
Dipole, Da:	4.14
IP(EA), eV:	-8.83(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations