Geometry & MOs

Info

ID:	231965
PubChem CID:	87575015
Reduced:	PSN2O12C16H29 (1)
Stoich.:	ABC2D12E16F29 (1)
Weight, g/mol:	230.99391
ΔH_f, kcal/mol:	-620.7
Dipole, Da:	4.43
IP(EA), eV:	-9.9(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethynylcyclohexan-1-ol;silver

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2.C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O

DOS

IR

Vibrations