Geometry & MOs

Info

ID:	389775
PubChem CID:	134995165
Reduced:	BPC7H11 (1)
Stoich.:	ABC7D11 (1)
Weight, g/mol:	178.09938
ΔH_f, kcal/mol:	66.76
Dipole, Da:	1.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751257
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,5R)-2-methyl-5-phenyloxolan-3-ol

Drug info:

PubChemData

Smile

[B].C=CCP1CC=CC1

DOS

IR

Vibrations