Geometry & MOs

Info

ID:	329735
PubChem CID:	127246602
Reduced:	FON4H17C18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	325.142641
ΔH_f, kcal/mol:	-15.91
Dipole, Da:	6.66
IP(EA), eV:	-8.89(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1,4-benzodioxin-6-yl-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)C3=CC4=C(N3)C=C(C=C4)F

DOS

IR

Vibrations