Geometry & MOs

Info

ID:	315754
PubChem CID:	126628676
Reduced:	O2N8H22C23 (1)
Stoich.:	A2B8C22D23 (1)
Weight, g/mol:	401.0375
ΔH_f, kcal/mol:	88.2
Dipole, Da:	6.41
IP(EA), eV:	-8.13(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-bromoacetyl)-3-[(4-methoxy-2-methylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)CN2C=NC3=C(C2=O)C=CN=C3N4C=C(C(=N4)N)C5=CN(N=C5)C

DOS

IR

Vibrations