Geometry & MOs

Info

ID:	268489
PubChem CID:	103599603
Reduced:	N4O4H22C23 (1)
Stoich.:	A4B4C22D23 (1)
Weight, g/mol:	433.163771
ΔH_f, kcal/mol:	-74.33
Dipole, Da:	4.19
IP(EA), eV:	-8.74(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(furan-2-yl)-3-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]-3-oxoprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NC(=O)CCNC(=O)C(=CC2=CC=CO2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations