Geometry & MOs

Info

ID:	320402
PubChem CID:	126660229
Reduced:	N3C10H13 (1)
Stoich.:	A3B10C13 (1)
Weight, g/mol:	268.157563
ΔH_f, kcal/mol:	57.87
Dipole, Da:	3.62
IP(EA), eV:	-8.8(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(4-ethylphenyl)methylidene]-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCN1C(=CN=C1N)C2=CC=CC2

DOS

IR

Vibrations