Geometry & MOs

Info

ID:	212614
PubChem CID:	81061201
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	253.121512
ΔH_f, kcal/mol:	-61.01
Dipole, Da:	5.96
IP(EA), eV:	-8.95(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxyanilino)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN(C1)C2=C(C(=NC(=C2)C)C)C#N

DOS

IR

Vibrations