Geometry & MOs

Info

ID:	268493
PubChem CID:	103599617
Reduced:	N3O4H21C23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	410.231791
ΔH_f, kcal/mol:	-76.2
Dipole, Da:	1.34
IP(EA), eV:	-9.0(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(furan-2-yl)-3-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]-3-oxoprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CO2)C(=O)NCCC3=CC(=CC=C3)C(=O)N

DOS

IR

Vibrations