Geometry & MOs

Info

ID:	199431
PubChem CID:	79246025
Reduced:	N3O3C10H15 (1)
Stoich.:	A3B3C10D15 (1)
Weight, g/mol:	321.079953
ΔH_f, kcal/mol:	-42.49
Dipole, Da:	8.64
IP(EA), eV:	-9.42(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-4-[(4-chloropyridin-2-yl)methyl]piperazine

Drug info:

PubChemData

Smile

CC(C)C(CO)NC1=NC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations