Geometry & MOs

Info

ID:	323472
PubChem CID:	126674919
Reduced:	F3N4O4C26H29 (1)
Stoich.:	A3B4C4D26E29 (1)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	-251.37
Dipole, Da:	7.14
IP(EA), eV:	-8.12(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1NC(=O)NC2CCC(CC2)OC3=CC=C(NN3)C4=CC=CC=C4)C(F)(F)F)CO

DOS

IR

Vibrations