Geometry & MOs

Info

ID:	323388
PubChem CID:	126674661
Reduced:	F3N3O5C23H26 (1)
Stoich.:	A3B3C5D23E26 (1)
Weight, g/mol:	422.243024
ΔH_f, kcal/mol:	-309.63
Dipole, Da:	5.35
IP(EA), eV:	-9.07(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)NC2=C(C=CC(=C2)OC(F)(F)F)OC3COC3)OCC4=CC=NC=C4

DOS

IR

Vibrations