Geometry & MOs

Info

ID:	338155
PubChem CID:	127258847
Reduced:	BrNO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	222.064057
ΔH_f, kcal/mol:	-48.8
Dipole, Da:	3.76
IP(EA), eV:	-9.29(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl) N-[(E)-prop-1-enyl]carbamate

Drug info:

PubChemData

Smile

C/C=C/NC(=O)OC1=CC=C(C=C1)Br

DOS

IR

Vibrations