Geometry & MOs

Info

ID:	145479
PubChem CID:	53530998
Reduced:	ON3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	258.184447
ΔH_f, kcal/mol:	24.88
Dipole, Da:	3.5
IP(EA), eV:	-8.68(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-ethylpiperidin-4-yl)amino]-4,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC=CC=C2NC13CCN(CC3)CC#C

DOS

IR

Vibrations