Geometry & MOs

Info

ID:	212522
PubChem CID:	81060836
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	285.103275
ΔH_f, kcal/mol:	-42.78
Dipole, Da:	4.6
IP(EA), eV:	-9.12(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chlorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NCC2COCCO2

DOS

IR

Vibrations