Geometry & MOs

Info

ID:	411084
PubChem CID:	135083894
Reduced:	NO4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	297.03644
ΔH_f, kcal/mol:	-41.19
Dipole, Da:	6.94
IP(EA), eV:	-10.44(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-(4-bromophenyl)ethenyl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)/C=C/CCCC=O)[N+](=O)[O-]

DOS

IR

Vibrations