Geometry & MOs

Info

ID:	190989
PubChem CID:	78091053
Reduced:	O2C9H12 (2)
Stoich.:	A2B9C12 (2)
Weight, g/mol:	360.01095
ΔH_f, kcal/mol:	-159.92
Dipole, Da:	2.33
IP(EA), eV:	-8.66(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromofuran-2-yl)-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)C(C)CCC=C(C)COC(=O)C)OCO2

DOS

IR

Vibrations