Geometry & MOs

Info

ID:	212356
PubChem CID:	81060261
Reduced:	BrN3H14C15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	62.31
Dipole, Da:	5.01
IP(EA), eV:	-8.87(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-ethyl-2-methylmorpholin-4-yl)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NCC2=CC=CC=C2Br

DOS

IR

Vibrations