Geometry & MOs

Info

ID:	26597
PubChem CID:	793237
Reduced:	NSO2F3H14C15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	293.07791
ΔH_f, kcal/mol:	-210.42
Dipole, Da:	5.57
IP(EA), eV:	-9.17(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(1-prop-2-enylcyclohexyl)aniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations