Geometry & MOs

Info

ID:	46572
PubChem CID:	10525298
Reduced:	OC29H40 (1)
Stoich.:	AB29C40 (1)
Weight, g/mol:	404.253121
ΔH_f, kcal/mol:	-89.12
Dipole, Da:	1.43
IP(EA), eV:	-8.85(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[[1-[[2-hydroxyethyl(methyl)amino]methyl]cyclohexyl]disulfanyl]cyclohexyl]methyl-methylamino]ethanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C23CC4CC(C2)CC(C4)C3)(C56CC7CC(C5)CC(C7)C6)O)C

DOS

IR

Vibrations