Geometry & MOs

Info

ID:	233977
PubChem CID:	92297460
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	217.095892
ΔH_f, kcal/mol:	-124.22
Dipole, Da:	2.27
IP(EA), eV:	-8.9(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,5S)-3,3,5-trimethylcyclohexyl]carbamodithioic acid

Drug info:

PubChemData

Smile

CN1CCC(CC1)([C@H](C2=CC=CC=C2)C(=O)OC)O

DOS

IR

Vibrations