Geometry & MOs

Info

ID:	198582
PubChem CID:	79120867
Reduced:	BrON2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	330.04984
ΔH_f, kcal/mol:	-29.73
Dipole, Da:	3.02
IP(EA), eV:	-8.7(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(2-bromo-5-chlorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine

Drug info:

PubChemData

Smile

CN(CC1=C(C=CC(=C1)Br)OC)C2CCC(CC2)N

DOS

IR

Vibrations