Geometry & MOs

Info

ID:	321032
PubChem CID:	126664492
Reduced:	ClSN5O6C31H44 (1)
Stoich.:	ABC5D6E31F44 (1)
Weight, g/mol:	125.120449
ΔH_f, kcal/mol:	-214.37
Dipole, Da:	6.96
IP(EA), eV:	-8.37(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-ethenylcyclohexan-1-amine

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)[C@H](C2=CC=C(C=C2)Cl)[C@@H](C(=O)N[C@H]3CCCC[C@@H]3CC[C@H]4CN[C@@H]5CCCS(N4C5)(O)O)NC(=O)O

DOS

IR

Vibrations