Geometry & MOs

Info

ID:	164295
PubChem CID:	74382779
Reduced:	ClO3N6C27H29 (1)
Stoich.:	AB3C6D27E29 (1)
Weight, g/mol:	327.085521
ΔH_f, kcal/mol:	-40.75
Dipole, Da:	6.84
IP(EA), eV:	-8.4(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(4-hydroxy-3-nitrophenyl)-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CC1C(=O)NC2=CC(=C(C=C2)O)Cl)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)C5=CN=CN=C5

DOS

IR

Vibrations