Geometry & MOs

Info

ID:	147969
PubChem CID:	53787630
Reduced:	ON3C24H33 (1)
Stoich.:	AB3C24D33 (1)
Weight, g/mol:	208.182715
ΔH_f, kcal/mol:	-20.61
Dipole, Da:	3.05
IP(EA), eV:	-7.97(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5,6,6-tetramethylcyclohexen-1-yl)but-3-en-2-ol

Drug info:

PubChemData

Smile

CCCCN1C=C2C[C@@H]3C(=C[C@H](CN3C)C(=O)N(CC)CC)C4=C2C1=CC=C4

DOS

IR

Vibrations