Geometry & MOs

Info

ID:	333305
PubChem CID:	127251857
Reduced:	FSO3N5C20H26 (1)
Stoich.:	ABC3D5E20F26 (1)
Weight, g/mol:	449.279075
ΔH_f, kcal/mol:	-105.05
Dipole, Da:	5.42
IP(EA), eV:	-8.81(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations