Geometry & MOs

Info

ID:	294974
PubChem CID:	117510106
Reduced:	BrNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	327.08339
ΔH_f, kcal/mol:	-76.77
Dipole, Da:	5.05
IP(EA), eV:	-8.8(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(aminomethyl)cyclohexyl]-4-bromo-6-methoxy-3-methylphenol

Drug info:

PubChemData

Smile

CC1(COC2=C(C=C(C(=C2)CCCCN)Br)OC1)C

DOS

IR

Vibrations