Geometry & MOs

Info

ID:	364031
PubChem CID:	127313702
Reduced:	ClON2H8C9 (2)
Stoich.:	ABC2D8E9 (2)
Weight, g/mol:	310.142976
ΔH_f, kcal/mol:	-32.91
Dipole, Da:	7.22
IP(EA), eV:	-8.95(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one

Drug info:

PubChemData

Smile

C1CN(C(=O)C1C(=O)N2CCC3=CN=CN=C3C2)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations