Geometry & MOs

Info

ID:	75722
PubChem CID:	48423898
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	364.15537
ΔH_f, kcal/mol:	1.31
Dipole, Da:	5.42
IP(EA), eV:	-9.85(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC(=CC=C1)CN2C=NC=N2)OCC3CC3

DOS

IR

Vibrations