Geometry & MOs

Info

ID:	212526
PubChem CID:	81060845
Reduced:	ON4C14H20 (1)
Stoich.:	AB4C14D20 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-9.19
Dipole, Da:	5.26
IP(EA), eV:	-9.25(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-acetyl-1,4-diazepan-1-yl)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCCN(CC(=O)NC)C1=C(C(=NC(=C1)C)C)C#N

DOS

IR

Vibrations