Geometry & MOs

Info

ID:	405877
PubChem CID:	135075808
Reduced:	PC5O8H11 (1)
Stoich.:	AB5C8D11 (1)
Weight, g/mol:	194.086228
ΔH_f, kcal/mol:	-408.59
Dipole, Da:	2.46
IP(EA), eV:	-10.37(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3,3-dimethyl-2,4-dihydro-1H-naphthalene

Drug info:

PubChemData

Smile

C(C([C@H]([C@@H](C=O)O)O)O)OP(=O)(O)O

DOS

IR

Vibrations