Geometry & MOs

Info

ID:	164216
PubChem CID:	74382379
Reduced:	SN7O7C41H41 (1)
Stoich.:	AB7C7D41E41 (1)
Weight, g/mol:	365.221561
ΔH_f, kcal/mol:	-138.96
Dipole, Da:	11.64
IP(EA), eV:	-7.9(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-aminopyridin-3-yl)-[3-ethenyl-6-[3-(2-methylpropyl)piperazin-1-yl]pyridin-2-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OCCC1=C(C=C(C=C1)OC)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CN(C=N4)C)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57

DOS

IR

Vibrations