Geometry & MOs

Info

ID:	59397
PubChem CID:	24853496
Reduced:	ClO6C23H27 (1)
Stoich.:	AB6C23D27 (1)
Weight, g/mol:	162.104465
ΔH_f, kcal/mol:	-250.27
Dipole, Da:	2.72
IP(EA), eV:	-9.02(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-methyl-1-phenylbut-2-en-1-ol

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CC2=CC3=C(C=C2Cl)OCC[C@@]34[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

DOS

IR

Vibrations