Geometry & MOs

Info

ID:	183559
PubChem CID:	77039610
Reduced:	O3N4C11H14 (1)
Stoich.:	A3B4C11D14 (1)
Weight, g/mol:	261.184112
ΔH_f, kcal/mol:	-23.84
Dipole, Da:	1.89
IP(EA), eV:	-9.99(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(ethylaminomethyl)-2-[(4-methylphenyl)methyl]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1C(NC(NC1=O)C2=CC(=CC=C2)[N+](=O)[O-])CN

DOS

IR

Vibrations