Geometry & MOs

Info

ID:	164287
PubChem CID:	74382714
Reduced:	BrN2O2H19C20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	256.096026
ΔH_f, kcal/mol:	-6.54
Dipole, Da:	4.04
IP(EA), eV:	-9.42(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(1H-imidazol-2-yl)-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCC(C1=CC=CC=C1)NC(=O)C(=CC2=CC(=C(C=C2)O)Br)C#N

DOS

IR

Vibrations