Geometry & MOs

Info

ID:	333371
PubChem CID:	127251923
Reduced:	ON6C24H30 (1)
Stoich.:	AB6C24D30 (1)
Weight, g/mol:	437.24269
ΔH_f, kcal/mol:	20.3
Dipole, Da:	7.5
IP(EA), eV:	-8.29(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CCN(C2)C)C3CCN(C3)C(=O)CCC4=CNC5=CC=CC=C54

DOS

IR

Vibrations