Geometry & MOs

Info

ID:	380620
PubChem CID:	134971115
Reduced:	N2C29H36 (1)
Stoich.:	A2B29C36 (1)
Weight, g/mol:	214.100354
ΔH_f, kcal/mol:	112.4
Dipole, Da:	0.88
IP(EA), eV:	-8.6(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,3S,6S)-2-azaniumyl-3,6-dimethylcyclohexyl]azanium;dichloride

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N2CN(C(C2C(C=C)C=C)C(C=C)C=C)[C@@H](C)C3=CC=CC=C3

DOS

IR

Vibrations