Geometry & MOs

Info

ID:	268466
PubChem CID:	103599515
Reduced:	N3O4H25C26 (1)
Stoich.:	A3B4C25D26 (1)
Weight, g/mol:	410.231791
ΔH_f, kcal/mol:	-77.36
Dipole, Da:	1.73
IP(EA), eV:	-8.97(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CC2=CC=CC(=C2)CNC(=O)C(=CC3=CC=CO3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations