Geometry & MOs

Info

ID:	147696
PubChem CID:	53787353
Reduced:	ON2C13H14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	367.251129
ΔH_f, kcal/mol:	4.25
Dipole, Da:	1.57
IP(EA), eV:	-9.44(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hexylphenoxy)-4,4-dimethyl-1-pyridin-3-ylpent-1-en-3-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CO)C2=NC=CN=C2C

DOS

IR

Vibrations