Geometry & MOs

Info

ID:	333278
PubChem CID:	127251830
Reduced:	FO3N5C22H26 (1)
Stoich.:	AB3C5D22E26 (1)
Weight, g/mol:	439.221954
ΔH_f, kcal/mol:	-114.86
Dipole, Da:	6.4
IP(EA), eV:	-9.28(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C(C1)C(=NC(=N2)C3CCN(C3)C(=O)COC4=CC=CC=C4F)NC

DOS

IR

Vibrations