Geometry & MOs

Info

ID:	333379
PubChem CID:	127251931
Reduced:	FSO3N5C20H26 (1)
Stoich.:	ABC3D5E20F26 (1)
Weight, g/mol:	449.279075
ΔH_f, kcal/mol:	-104.99
Dipole, Da:	2.73
IP(EA), eV:	-8.9(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CCN(C2)C)C3CCN(C3)S(=O)(=O)C4=C(C=CC(=C4)F)OC

DOS

IR

Vibrations