Geometry & MOs

Info

ID:	129426
PubChem CID:	51072541
Reduced:	N2O3C19H28 (1)
Stoich.:	A2B3C19D28 (1)
Weight, g/mol:	333.168856
ΔH_f, kcal/mol:	-160.25
Dipole, Da:	5.61
IP(EA), eV:	-9.63(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-nitro-4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC1CCCC1)N2C(=O)C3CC=CCC3C2=O

DOS

IR

Vibrations