Geometry & MOs

Info

ID:	212446
PubChem CID:	81060559
Reduced:	SN3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	257.189198
ΔH_f, kcal/mol:	-0.73
Dipole, Da:	6.28
IP(EA), eV:	-8.47(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)N2CCC3CCCCC3C2

DOS

IR

Vibrations