Geometry & MOs

Info

ID:	145774
PubChem CID:	53591155
Reduced:	FN5C16H20 (1)
Stoich.:	AB5C16D20 (1)
Weight, g/mol:	330.194343
ΔH_f, kcal/mol:	13.97
Dipole, Da:	5.19
IP(EA), eV:	-8.88(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=NN=C(N2CC1)C3CCCN3C4=NC(=CC=C4)F

DOS

IR

Vibrations