Geometry & MOs

Info

ID:	89640
PubChem CID:	49963250
Reduced:	OSN2H16C21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	278.107357
ΔH_f, kcal/mol:	64.69
Dipole, Da:	4.19
IP(EA), eV:	-8.36(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chlorophenyl)-(5-pentylfuran-2-yl)methanol

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2SC3=CC=CC(=C31)C(C4=CC=C(C=C4)C#N)O

DOS

IR

Vibrations