Geometry & MOs

Info

ID:	294327
PubChem CID:	117453309
Reduced:	BrNC14H20 (1)
Stoich.:	ABC14D20 (1)
Weight, g/mol:	281.07791
ΔH_f, kcal/mol:	-3.13
Dipole, Da:	1.04
IP(EA), eV:	-9.23(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-bromo-4-methylphenyl)cyclohexyl]methanamine

Drug info:

PubChemData

Smile

C1CCC(C1)C2=C(C=C(C=C2)CCCN)Br

DOS

IR

Vibrations