Geometry & MOs

Info

ID:	311878
PubChem CID:	126598690
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	485.224932
ΔH_f, kcal/mol:	-97.17
Dipole, Da:	3.2
IP(EA), eV:	-8.83(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-5-thiophen-2-ylphenyl)-5-[(1E)-1-cyclopropyl-2-piperazin-1-ylbuta-1,3-dienyl]-4-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)OC(=C)OC

DOS

IR

Vibrations