Geometry & MOs

Info

ID:	183662
PubChem CID:	77052312
Reduced:	N2O2C11H14 (1)
Stoich.:	A2B2C11D14 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-66.59
Dipole, Da:	2.91
IP(EA), eV:	-10.0(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-6-(ethylaminomethyl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC(=C1C(=O)NC(=NC1=O)C2CCC2)C

DOS

IR

Vibrations