Geometry & MOs

Info

ID:	323843
PubChem CID:	126676306
Reduced:	ON2C18H18 (1)
Stoich.:	AB2C18D18 (1)
Weight, g/mol:	326.185509
ΔH_f, kcal/mol:	51.17
Dipole, Da:	4.18
IP(EA), eV:	-8.82(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2=CC3=C(C=C2)C=C(C=C3)OCC=C

DOS

IR

Vibrations