Geometry & MOs

Info

ID:	194385
PubChem CID:	78526563
Reduced:	O3N4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	393.1536
ΔH_f, kcal/mol:	25.6
Dipole, Da:	12.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.863533
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-amino-1-methyl-2,4-dioxo-1,3-diazinan-5-yl)-2-oxoethyl] 3,4-diethoxybenzoate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C=NNC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations