Geometry & MOs

Info

ID:	430011
PubChem CID:	135170068
Reduced:	SO10C32H38 (1)
Stoich.:	AB10C32D38 (1)
Weight, g/mol:	192.151415
ΔH_f, kcal/mol:	-421.25
Dipole, Da:	9.7
IP(EA), eV:	-9.74(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methylhexan-3-yl)phenol

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC(=C1OC(=O)C2[C@H]3CC4C2C(=O)OC4C3OC(=O)C56CC7CC(C5)C(=O)C(C7)C6)C(C)C)S(=O)(=O)O

DOS

IR

Vibrations