Geometry & MOs

Info

ID:	212355
PubChem CID:	81060256
Reduced:	ON2C18H18 (1)
Stoich.:	AB2C18D18 (1)
Weight, g/mol:	315.03711
ΔH_f, kcal/mol:	15.29
Dipole, Da:	3.22
IP(EA), eV:	-9.52(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)OC2CCCC3=CC=CC=C23

DOS

IR

Vibrations