Geometry & MOs

Info

ID:	89558
PubChem CID:	49962645
Reduced:	NSO3H21C22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	304.167459
ΔH_f, kcal/mol:	-42.44
Dipole, Da:	3.13
IP(EA), eV:	-8.15(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dimethoxyphenyl)-(5-pentylfuran-2-yl)methanol

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2SC3=CC=CC(=C31)C(C4=CC(=C(C=C4)OC)OC)O

DOS

IR

Vibrations