Geometry & MOs

Info

ID:	262186
PubChem CID:	103275884
Reduced:	BrFNSO2C11H13 (1)
Stoich.:	ABCDE2F11G13 (1)
Weight, g/mol:	265.18305
ΔH_f, kcal/mol:	-116.67
Dipole, Da:	3.37
IP(EA), eV:	-8.93(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]naphthalen-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NC2CCS(=O)(=O)C2)Br)F

DOS

IR

Vibrations