Geometry & MOs

Info

ID:	298962
PubChem CID:	117664489
Reduced:	ON2C13H14 (2)
Stoich.:	AB2C13D14 (2)
Weight, g/mol:	323.148121
ΔH_f, kcal/mol:	2.16
Dipole, Da:	2.06
IP(EA), eV:	-8.55(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis(3,3-dimethyloxiran-2-yl)-5-(2-methylprop-1-enyl)-1,3,5-triazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC)C)C2=CC3=C(C=C2)NC=C3C4=CN=CC(=N4)O[C@@H]5CCCNC5

DOS

IR

Vibrations