Geometry & MOs

Info

ID:	52398
PubChem CID:	12015250
Reduced:	O6C29H34 (1)
Stoich.:	A6B29C34 (1)
Weight, g/mol:	231.162314
ΔH_f, kcal/mol:	-125.29
Dipole, Da:	1.27
IP(EA), eV:	-8.63(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-4-(1-methylindol-3-yl)pentan-2-ol

Drug info:

PubChemData

Smile

CC1(C2=CC=C(C=C2)OCCOC(=O)CCCC#CCCCC(=O)OCCOC3=CC=C1C=C3)C

DOS

IR

Vibrations