Geometry & MOs

Info

ID:	388159
PubChem CID:	134988355
Reduced:	NOSiC13H23 (1)
Stoich.:	ABCD13E23 (1)
Weight, g/mol:	236.97893
ΔH_f, kcal/mol:	-69.07
Dipole, Da:	2.83
IP(EA), eV:	-8.82(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-[(E)-1-isocyanatoprop-1-enyl]benzene

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1CCCC(=C1)[N+]#[C-]

DOS

IR

Vibrations