Geometry & MOs

Info

ID:	89624
PubChem CID:	49963135
Reduced:	NOH15C16 (1)
Stoich.:	ABC15D16 (1)
Weight, g/mol:	255.125929
ΔH_f, kcal/mol:	12.62
Dipole, Da:	5.09
IP(EA), eV:	-9.53(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-butylfuran-2-yl)-hydroxymethyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(C2=CC=C(C=C2)C#N)O)C

DOS

IR

Vibrations