Geometry & MOs

Info

ID:	268470
PubChem CID:	103599521
Reduced:	N2O5C24H24 (1)
Stoich.:	A2B5C24D24 (1)
Weight, g/mol:	449.231456
ΔH_f, kcal/mol:	-108.43
Dipole, Da:	5.63
IP(EA), eV:	-8.7(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

COCCOC1=CC=C(C=C1)CNC(=O)C(=CC2=CC=CO2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations