Geometry & MOs

Info

ID:	393875
PubChem CID:	135021889
Reduced:	OP2H34C39 (1)
Stoich.:	AB2C34D39 (1)
Weight, g/mol:	222.198365
ΔH_f, kcal/mol:	82.87
Dipole, Da:	3.59
IP(EA), eV:	-8.0(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,7aS)-3,3,4,5,7a-pentamethyl-2,3a,6,7-tetrahydro-1H-inden-2-yl]methanol

Drug info:

PubChemData

Smile

CC1(C2=CCCC(=C2OC3=C1C=CC=C3P(C4=CC=CC=C4)C5=CC=CC=C5)P(C6=CC=CC=C6)C7=CC=CC=C7)C

DOS

IR

Vibrations