Geometry & MOs

Info

ID:	173280
PubChem CID:	75617253
Reduced:	O3N4C17H21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	344.184841
ΔH_f, kcal/mol:	-67.68
Dipole, Da:	4.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.868526
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-benzyl-2,4-dioxo-1,3-diazinan-5-yl)-N-ethylpent-4-enamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C[N+]2=CN=C3C2C(=O)N(C(=O)N3C)C

DOS

IR

Vibrations