Geometry & MOs

Info

ID:	39651
PubChem CID:	8141748
Reduced:	N2O2C10H13 (2)
Stoich.:	A2B2C10D13 (2)
Weight, g/mol:	383.148608
ΔH_f, kcal/mol:	-149.68
Dipole, Da:	1.76
IP(EA), eV:	-9.02(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-tert-butyl-2-[4-(2-chloro-4-nitrobenzoyl)piperazin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations