Geometry & MOs

Info

ID:	395348
PubChem CID:	135025225
Reduced:	O2C10H11 (2)
Stoich.:	A2B10C11 (2)
Weight, g/mol:	328.203845
ΔH_f, kcal/mol:	-98.46
Dipole, Da:	4.77
IP(EA), eV:	-9.46(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3,7-bis(phenylmethoxy)heptan-1-ol

Drug info:

PubChemData

Smile

CC1(C2CC(=O)O[C@@H]([C@@]23C[C@@H](C1O3)OCC4=CC=CC=C4)C#C)C

DOS

IR

Vibrations