Geometry & MOs

Info

ID:	23550
PubChem CID:	604613
Reduced:	O2N5C15H15 (1)
Stoich.:	A2B5C15D15 (1)
Weight, g/mol:	297.122575
ΔH_f, kcal/mol:	-30.77
Dipole, Da:	9.23
IP(EA), eV:	-9.18(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C(N=C2C=C1C)NC3=NC(=CC(=O)N3)O)C

DOS

IR

Vibrations