Geometry & MOs

Info

ID:	270611
PubChem CID:	103637309
Reduced:	BrNOC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	297.07283
ΔH_f, kcal/mol:	-52.09
Dipole, Da:	4.57
IP(EA), eV:	-8.77(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[(3-methylcyclohexyl)amino]methyl]phenol

Drug info:

PubChemData

Smile

CC(C)(C)CCNCC1=C(C=CC(=C1)Br)O

DOS

IR

Vibrations