Geometry & MOs

Info

ID:	386916
PubChem CID:	134983359
Reduced:	ClH25C32 (1)
Stoich.:	AB25C32 (1)
Weight, g/mol:	366.201507
ΔH_f, kcal/mol:	104.97
Dipole, Da:	1.95
IP(EA), eV:	-8.78(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,3aR,9bS)-7-methoxy-3a-methyl-1,2,3,4,5,9b-hexahydrocyclopenta[a]naphthalen-3-yl]oxy-dimethyl-phenylsilane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H]2[C@@H](C3=C(C4=CC=CC=C4C(=C23)C5=CC=CC=C5)Cl)C6=CC=C(C=C6)C

DOS

IR

Vibrations