Geometry & MOs

Info

ID:	281513
PubChem CID:	103913978
Reduced:	NO2S2C12H25 (1)
Stoich.:	AB2C2D12E25 (1)
Weight, g/mol:	253.161269
ΔH_f, kcal/mol:	-119.39
Dipole, Da:	5.84
IP(EA), eV:	-8.53(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-methylimidazol-2-yl)ethyl]-3-methylsulfanylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CCS(=O)(=O)CC(C)NC1CCCC(C1)SC

DOS

IR

Vibrations