Geometry & MOs

Info

ID:	156242
PubChem CID:	56369800
Reduced:	O3N5C23H31 (1)
Stoich.:	A3B5C23D31 (1)
Weight, g/mol:	484.284969
ΔH_f, kcal/mol:	-96.71
Dipole, Da:	5.24
IP(EA), eV:	-8.89(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butoxy-N-[2-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethylamino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C)N2CCN(CC2)C(=O)[C@H](C(C)C)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations