Geometry & MOs

Info

ID:	18708
PubChem CID:	546764
Reduced:	NBr2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	404.9762
ΔH_f, kcal/mol:	-77.29
Dipole, Da:	3.29
IP(EA), eV:	-9.61(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(4,4-dibromo-1-phenylbut-3-en-2-yl)carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C=C(Br)Br

DOS

IR

Vibrations