Geometry & MOs

Info

ID:	191916
PubChem CID:	78200427
Reduced:	O5C18H22 (1)
Stoich.:	A5B18C22 (1)
Weight, g/mol:	403.153206
ΔH_f, kcal/mol:	-170.74
Dipole, Da:	2.51
IP(EA), eV:	-8.87(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methylphenoxy)-4-(4-nitrophenyl)-6-phenyl-1,3-diazinan-2-one

Drug info:

PubChemData

Smile

COC1CCC(C2C1C(=O)C(=CO2)C3=CC=CC=C3OC)OC

DOS

IR

Vibrations