Geometry & MOs

Info

ID:	183247
PubChem CID:	76998188
Reduced:	O3N4C12H16 (1)
Stoich.:	A3B4C12D16 (1)
Weight, g/mol:	234.148061
ΔH_f, kcal/mol:	-27.17
Dipole, Da:	6.43
IP(EA), eV:	-10.17(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-ethyl-2-(3-methylpyridin-2-yl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCC1C(NC(NC1=O)C2=CC=CC=C2[N+](=O)[O-])N

DOS

IR

Vibrations