Geometry & MOs

Info

ID:	333356
PubChem CID:	127251908
Reduced:	ON5C26H29 (1)
Stoich.:	AB5C26D29 (1)
Weight, g/mol:	383.212139
ΔH_f, kcal/mol:	41.92
Dipole, Da:	5.83
IP(EA), eV:	-9.04(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CCN(C2)C)C3CCN(C3)C(=O)C4=CC=CC=C4C5=CC=CC=C5

DOS

IR

Vibrations