Geometry & MOs

Info

ID:	191983
PubChem CID:	78209130
Reduced:	N2O5C18H18 (1)
Stoich.:	A2B5C18D18 (1)
Weight, g/mol:	347.17461
ΔH_f, kcal/mol:	-123.6
Dipole, Da:	2.39
IP(EA), eV:	-8.89(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,8-dimethylquinazolin-2-yl)amino]-6-phenyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)C(=CO2)C=NNC(=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations