Geometry & MOs

Info

ID:	302849
PubChem CID:	124397529
Reduced:	NO3C22H35 (1)
Stoich.:	AB3C22D35 (1)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	-138.04
Dipole, Da:	6.24
IP(EA), eV:	-9.61(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5S)-2-(3-hydroxyprop-1-en-2-yl)-5-methylcyclohexan-1-ol

Drug info:

PubChemData

Smile

CCCCC/C=C/C[C@H](/C=C/C1=CC=CC(=N1)C[C@@H](CCCCO)O)O

DOS

IR

Vibrations