Geometry & MOs

Info

ID:	212648
PubChem CID:	81061310
Reduced:	ON4C12H14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	244.168797
ΔH_f, kcal/mol:	8.73
Dipole, Da:	2.36
IP(EA), eV:	-9.39(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N2CCNC(=O)C2

DOS

IR

Vibrations