Geometry & MOs

Info

ID:	395789
PubChem CID:	135026542
Reduced:	BrN2O4H13C22 (1)
Stoich.:	AB2C4D13E22 (1)
Weight, g/mol:	231.107941
ΔH_f, kcal/mol:	21.67
Dipole, Da:	7.37
IP(EA), eV:	-9.03(-2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-1-trimethylsilyloxyprop-1-enyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4Br

DOS

IR

Vibrations