Geometry & MOs

Info

ID:	333375
PubChem CID:	127251927
Reduced:	ON5C24H33 (1)
Stoich.:	AB5C24D33 (1)
Weight, g/mol:	441.217618
ΔH_f, kcal/mol:	0.17
Dipole, Da:	6.21
IP(EA), eV:	-8.72(-0.04)
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]-3-(3-fluorophenoxy)propan-1-one

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CCN(C2)CC3=CC(=CC=C3)OC4CCCC4)C5CCNC5

DOS

IR

Vibrations