Geometry & MOs

Info

ID:	24870
PubChem CID:	614146
Reduced:	ON3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	239.105862
ΔH_f, kcal/mol:	12.79
Dipole, Da:	4.9
IP(EA), eV:	-9.62(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1CC2=NC(=NC=C2C(=O)N1)C3=CC=CC=C3

DOS

IR

Vibrations