Geometry & MOs

Info

ID:	212402
PubChem CID:	81060431
Reduced:	SN4C12H12 (1)
Stoich.:	AB4C12D12 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	71.48
Dipole, Da:	3.81
IP(EA), eV:	-9.03(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,3-dimethylmorpholin-4-yl)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC2=NC(=CS2)C

DOS

IR

Vibrations