Geometry & MOs

Info

ID:	315753
PubChem CID:	126628674
Reduced:	ClO2N3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	442.186572
ΔH_f, kcal/mol:	-44.83
Dipole, Da:	3.72
IP(EA), eV:	-8.9(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[3-amino-4-(1-methylpyrazol-4-yl)pyrazol-1-yl]-3-[(4-methoxy-2-methylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)CNC(=O)C2=C(C(=NC=C2)Cl)N

DOS

IR

Vibrations