Geometry & MOs

Info

ID:	333300
PubChem CID:	127251852
Reduced:	FON5C23H30 (1)
Stoich.:	ABC5D23E30 (1)
Weight, g/mol:	439.238353
ΔH_f, kcal/mol:	-49.8
Dipole, Da:	7.72
IP(EA), eV:	-8.95(-0.2)
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]-4-(4-fluorophenyl)butan-1-one

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CN(CC2)C)C3CCN(C3)C(=O)CCCC4=CC=C(C=C4)F

DOS

IR

Vibrations