Geometry & MOs

Info

ID:	31034
PubChem CID:	854214
Reduced:	FO5H11C14 (1)
Stoich.:	AB5C11D14 (1)
Weight, g/mol:	241.121512
ΔH_f, kcal/mol:	-213.48
Dipole, Da:	5.12
IP(EA), eV:	-9.35(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(azepan-1-yl)furan-2-yl]methylidene]propanedinitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OCC(=O)C2=C(C=C(C=C2O)O)O)F

DOS

IR

Vibrations