Geometry & MOs

Info

ID:	222435
PubChem CID:	85300734
Reduced:	O3C21H28 (1)
Stoich.:	A3B21C28 (1)
Weight, g/mol:	328.222242
ΔH_f, kcal/mol:	-99.49
Dipole, Da:	3.45
IP(EA), eV:	-9.19(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)-1-[dimethyl(phenyl)silyl]but-3-en-1-ol

Drug info:

PubChemData

Smile

CC1C2C=CC=CC1C(C(C(C2C)O)O)COCC3=CC=CC=C3

DOS

IR

Vibrations