Geometry & MOs

Info

ID:	294807
PubChem CID:	117497189
Reduced:	BrNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	311.08848
ΔH_f, kcal/mol:	-41.15
Dipole, Da:	2.15
IP(EA), eV:	-8.79(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2-methoxy-3,5-dimethylphenyl)cyclohexan-1-amine

Drug info:

PubChemData

Smile

C1CC12COC3=C(C=C(C(=C3)CCCN)Br)OC2

DOS

IR

Vibrations