Geometry & MOs

Info

ID:	205224
PubChem CID:	80071686
Reduced:	ON3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	319.113667
ΔH_f, kcal/mol:	-2.64
Dipole, Da:	3.43
IP(EA), eV:	-8.6(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[5-(3-methylsulfonylcyclohexyl)sulfanyltetrazol-1-yl]ethanamine

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(C=C1)N)C(=O)C2=C(N=CC=C2)C

DOS

IR

Vibrations