Geometry & MOs

Info

ID:	198581
PubChem CID:	79120866
Reduced:	NC9H18 (2)
Stoich.:	AB9C18 (2)
Weight, g/mol:	326.09938
ΔH_f, kcal/mol:	-55.95
Dipole, Da:	3.02
IP(EA), eV:	-8.43(2.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1CCCC(CC1)N(C)C2CCC(CC2)N

DOS

IR

Vibrations