Geometry & MOs

Info

ID:	200086
PubChem CID:	79345445
Reduced:	NO3C5H6 (2)
Stoich.:	AB3C5D6 (2)
Weight, g/mol:	284.09277
ΔH_f, kcal/mol:	-157.21
Dipole, Da:	3.75
IP(EA), eV:	-9.2(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxyethyl 4-(2-chlorophenyl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)OCCO)[N+](=O)[O-]

DOS

IR

Vibrations