Geometry & MOs

Info

ID:	333358
PubChem CID:	127251910
Reduced:	ON6C23H26 (1)
Stoich.:	AB6C23D26 (1)
Weight, g/mol:	447.174039
ΔH_f, kcal/mol:	47.23
Dipole, Da:	7.15
IP(EA), eV:	-9.06(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CCN(C2)C)C3CCN(C3)C(=O)C4=NC=CC5=CC=CC=C54

DOS

IR

Vibrations