Geometry & MOs

Info

ID:	45416
PubChem CID:	10512984
Reduced:	ON2F3C9H9 (1)
Stoich.:	AB2C3D9E9 (1)
Weight, g/mol:	218.094294
ΔH_f, kcal/mol:	-152.0
Dipole, Da:	9.49
IP(EA), eV:	-9.0(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(hydroxymethyl)-4-methoxy-2-(3-methylbut-3-en-1-ynyl)phenol

Drug info:

PubChemData

Smile

CN(C)C1=CN=C(C=C1)C(=O)C(F)(F)F

DOS

IR

Vibrations