Geometry & MOs

Info

ID:	333264
PubChem CID:	127251816
Reduced:	ON6C23H28 (1)
Stoich.:	AB6C23D28 (1)
Weight, g/mol:	432.227374
ΔH_f, kcal/mol:	25.69
Dipole, Da:	6.04
IP(EA), eV:	-8.41(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CN(CC2)C)C3CCN(C3)C(=O)CC4=CNC5=CC=CC=C54

DOS

IR

Vibrations