Geometry & MOs

Info

ID:	371842
PubChem CID:	131274556
Reduced:	FN2H7C8 (1)
Stoich.:	AB2C7D8 (1)
Weight, g/mol:	142.090627
ΔH_f, kcal/mol:	0.16
Dipole, Da:	3.6
IP(EA), eV:	-9.04(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-fluoroazepane-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1N)F)C#N

DOS

IR

Vibrations