Geometry & MOs

Info

ID:	212521
PubChem CID:	81060830
Reduced:	N3C18H19 (1)
Stoich.:	A3B18C19 (1)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	58.16
Dipole, Da:	4.55
IP(EA), eV:	-8.94(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,4-dioxan-2-ylmethylamino)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N2CCC3=CC=CC=C3CC2

DOS

IR

Vibrations