Geometry & MOs

Info

ID:	333362
PubChem CID:	127251914
Reduced:	ON3C12H16 (2)
Stoich.:	AB3C12D16 (2)
Weight, g/mol:	446.243024
ΔH_f, kcal/mol:	-21.77
Dipole, Da:	6.75
IP(EA), eV:	-8.39(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-[2-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]quinolin-2-one

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CCN(C2)C)C3CCN(C3)C(=O)C4=CC=C(C=C4)N5CCOCC5

DOS

IR

Vibrations