Geometry & MOs

Info

ID:	124363
PubChem CID:	50880520
Reduced:	BrNO2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	289.01023
ΔH_f, kcal/mol:	-2.69
Dipole, Da:	0.37
IP(EA), eV:	-8.8(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carbonitrile

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)C2=CC=C(O2)/C=N/O)C)Br

DOS

IR

Vibrations