Geometry & MOs

Info

ID:	192461
PubChem CID:	78271956
Reduced:	ON3C21H29 (1)
Stoich.:	AB3C21D29 (1)
Weight, g/mol:	394.004261
ΔH_f, kcal/mol:	5.74
Dipole, Da:	3.33
IP(EA), eV:	-8.76(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorobenzoyl)-4-(2,4-dichlorophenyl)-6-methylidene-1,3-diazinan-2-one

Drug info:

PubChemData

Smile

C[NH+](C)C(C[NH2+]CC(=O)N1CCCC2=CC=CC=C21)C3=CC=CC=C3

DOS

IR

Vibrations