Geometry & MOs

Info

ID:	406057
PubChem CID:	135076403
Reduced:	IZnN2O2H15C18 (1)
Stoich.:	ABC2D2E15F18 (1)
Weight, g/mol:	192.11503
ΔH_f, kcal/mol:	-26.34
Dipole, Da:	5.23
IP(EA), eV:	-9.43(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-but-2-ynyl-2-ethenyl-2-hydroxycyclohexan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2[C-]=CC(=O)N(C2=O)CC3=CC=CC=C3.[Zn+]I

DOS

IR

Vibrations