Geometry & MOs

Info

ID:	212553
PubChem CID:	81060955
Reduced:	N3C16H23 (1)
Stoich.:	A3B16C23 (1)
Weight, g/mol:	334.98249
ΔH_f, kcal/mol:	7.38
Dipole, Da:	4.88
IP(EA), eV:	-9.0(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromo-4-chloroanilino)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1CCC(CC1C)NC2=C(C(=NC(=C2)C)C)C#N

DOS

IR

Vibrations