Geometry & MOs

Info

ID:	180650
PubChem CID:	76664688
Reduced:	O2N7C21H27 (1)
Stoich.:	A2B7C21D27 (1)
Weight, g/mol:	450.237939
ΔH_f, kcal/mol:	-3.8
Dipole, Da:	8.91
IP(EA), eV:	-8.01(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3,4-dimethoxyphenyl)-3-methyl-5-[(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl)amino]pyrido[4,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1COCCN1C2=NC=C(C=C2)NC3C4C(CC(N3)C5=CN=CC=C5)NCNC4=O

DOS

IR

Vibrations