Geometry & MOs

Info

ID:	163744
PubChem CID:	60770383
Reduced:	N3C12H13 (1)
Stoich.:	A3B12C13 (1)
Weight, g/mol:	453.177897
ΔH_f, kcal/mol:	58.02
Dipole, Da:	1.95
IP(EA), eV:	-8.55(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-butyl-2,4-dioxo-1,3-diazinan-5-yl)-4-chloro-3-nitro-N-pentylbenzamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)NC2=CC=CC(=C2)CN

DOS

IR

Vibrations