Geometry & MOs

Info

ID:	408093
PubChem CID:	135080848
Reduced:	NO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	178.09938
ΔH_f, kcal/mol:	-80.75
Dipole, Da:	5.81
IP(EA), eV:	-8.18(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(3-methoxyphenyl)but-2-en-1-ol

Drug info:

PubChemData

Smile

C[C@H]([C@@H]1C=CC(=O)O1)NC2=CC=C(C=C2)OC

DOS

IR

Vibrations