Geometry & MOs

Info

ID:	296145
PubChem CID:	117557962
Reduced:	ON4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	229.121512
ΔH_f, kcal/mol:	21.9
Dipole, Da:	3.95
IP(EA), eV:	-8.71(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azepane-1-carbonyl)pyridine-4-carbonitrile

Drug info:

PubChemData

Smile

CN(C)CCCNC(=O)C1=C(C=CN=C1)C#N

DOS

IR

Vibrations