Geometry & MOs

Info

ID:	308283
PubChem CID:	125325702
Reduced:	N2O4H16C17 (1)
Stoich.:	A2B4C16D17 (1)
Weight, g/mol:	391.119988
ΔH_f, kcal/mol:	-56.84
Dipole, Da:	7.0
IP(EA), eV:	-8.26(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-chlorophenyl)-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1OC2=C(N=NC2)C3=C(C=C(C=C3)O)O

DOS

IR

Vibrations