Geometry & MOs

Info

ID:	294975
PubChem CID:	117510151
Reduced:	BrNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	327.06563
ΔH_f, kcal/mol:	-71.46
Dipole, Da:	5.19
IP(EA), eV:	-8.46(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4-propan-2-ylsulfanylphenyl)cyclohexan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=C1C2(CCCCC2)CN)O)OC)Br

DOS

IR

Vibrations