Geometry & MOs

Info

ID:	37202
PubChem CID:	8018226
Reduced:	NO3H19C20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	375.96948
ΔH_f, kcal/mol:	-53.92
Dipole, Da:	6.75
IP(EA), eV:	-9.89(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoate

Drug info:

PubChemData

Smile

CC[C@H](C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations