Geometry & MOs

Info

ID:	323386
PubChem CID:	126674658
Reduced:	F3N5O5C21H26 (1)
Stoich.:	A3B5C5D21E26 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	-325.1
Dipole, Da:	5.16
IP(EA), eV:	-9.11(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CNC1=NC=CC(=N1)OC2CCC(CC2)NC(=O)NC3=CC(=CC(=C3OC)CO)OC(F)(F)F

DOS

IR

Vibrations