Geometry & MOs

Info

ID:	203974
PubChem CID:	79895430
Reduced:	BrFNO2C15H19 (1)
Stoich.:	ABCD2E15F19 (1)
Weight, g/mol:	295.133907
ΔH_f, kcal/mol:	-117.64
Dipole, Da:	1.97
IP(EA), eV:	-9.42(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chlorophenyl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine

Drug info:

PubChemData

Smile

C1COC2(CCOC2)CC1NCC3=C(C=CC(=C3)Br)F

DOS

IR

Vibrations