Geometry & MOs

Info

ID:	52144
PubChem CID:	12014934
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	262.19328
ΔH_f, kcal/mol:	-132.07
Dipole, Da:	3.24
IP(EA), eV:	-9.55(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-[(E)-2-methoxyethenyl]-1-phenyloctan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(N1)C(=O)OC)C(=O)CC(C)C

DOS

IR

Vibrations