Geometry & MOs

Info

ID:	392374
PubChem CID:	135014866
Reduced:	TiO4C34H35 (1)
Stoich.:	AB4C34D35 (1)
Weight, g/mol:	280.14633
ΔH_f, kcal/mol:	-73.55
Dipole, Da:	4.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.908841
Charge, e:	0

Chem-info

IUPAC name:

(6-methoxy-2-methyl-3,4-dihydronaphthalen-1-yl)-phenylmethanol

Drug info:

PubChemData

Smile

CC1(O[C@@H]([C@H](O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)C.[CH2-]C=C.[Ti]

DOS

IR

Vibrations