Geometry & MOs

Info

ID:	192401
PubChem CID:	78264648
Reduced:	ClN2O5C24H30 (1)
Stoich.:	AB2C5D24E30 (1)
Weight, g/mol:	387.158292
ΔH_f, kcal/mol:	-177.5
Dipole, Da:	9.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.791018
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-[1-(5-methylfuran-2-yl)ethenyl]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

C[NH+](C)CCCN1C(C2=C(C1=O)OC3CCC(CC3C2=O)Cl)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations