Geometry & MOs

Info

ID:	5307
PubChem CID:	12938
Reduced:	N2O4H16C19 (1)
Stoich.:	A2B4C16D19 (1)
Weight, g/mol:	336.111007
ΔH_f, kcal/mol:	-106.38
Dipole, Da:	1.15
IP(EA), eV:	-9.84(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzoyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CCC1(C(=O)NC(=O)N(C1=O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations