Geometry & MOs

Info

ID:	145670
PubChem CID:	53569349
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	353.148789
ΔH_f, kcal/mol:	-17.67
Dipole, Da:	3.95
IP(EA), eV:	-9.63(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-2,4-dioxo-6-(5-oxo-7-phenyl-1,4-diazepan-1-yl)pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CCC1=NN=C2N1CCN(C2)C(=O)C(C3=CC=CC=C3)OCC

DOS

IR

Vibrations