Geometry & MOs

Info

ID:	264526
PubChem CID:	103467364
Reduced:	BrN4H11C13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	270.111676
ΔH_f, kcal/mol:	84.8
Dipole, Da:	3.88
IP(EA), eV:	-8.25(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-6-(3,5-dimethoxyanilino)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC2=NC(=C(C=C2)N)C#N)Br

DOS

IR

Vibrations