Geometry & MOs

Info

ID:	45500
PubChem CID:	10514228
Reduced:	ClN2O2F3H4C7 (1)
Stoich.:	AB2C2D3E4F7 (1)
Weight, g/mol:	240.01498
ΔH_f, kcal/mol:	-223.46
Dipole, Da:	2.5
IP(EA), eV:	-10.02(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-2-but-3-enyl-4-methoxybenzene

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)Cl)NC(=O)OC(F)(F)F

DOS

IR

Vibrations