Geometry & MOs

Info

ID:	165753
PubChem CID:	74592980
Reduced:	N5O5C18H25 (1)
Stoich.:	A5B5C18D25 (1)
Weight, g/mol:	391.185569
ΔH_f, kcal/mol:	-131.0
Dipole, Da:	1.81
IP(EA), eV:	-10.05(-1.54)
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)-N-ethyl-3-methyl-2-nitrobenzamide

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)N(CC)C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)N

DOS

IR

Vibrations