Geometry & MOs

Info

ID:	212546
PubChem CID:	81060914
Reduced:	ClN3H12C14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	279.173548
ΔH_f, kcal/mol:	57.83
Dipole, Da:	5.21
IP(EA), eV:	-9.11(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(N-butylanilino)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC2=CC=CC=C2Cl

DOS

IR

Vibrations