Geometry & MOs

Info

ID:	333335
PubChem CID:	127251887
Reduced:	ON3C12H17 (2)
Stoich.:	AB3C12D17 (2)
Weight, g/mol:	448.258674
ΔH_f, kcal/mol:	-25.66
Dipole, Da:	5.71
IP(EA), eV:	-8.57(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-(methylamino)-6-(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CN(CC2)C)C3CCN(C3)C(=O)CCN(C)C4=CC=CC=C4OC

DOS

IR

Vibrations