Geometry & MOs

Info

ID:	212361
PubChem CID:	81060268
Reduced:	BrN3C16H16 (1)
Stoich.:	AB3C16D16 (1)
Weight, g/mol:	265.157898
ΔH_f, kcal/mol:	62.83
Dipole, Da:	4.81
IP(EA), eV:	-9.42(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(2-propylanilino)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC(C)C2=CC=C(C=C2)Br

DOS

IR

Vibrations