Geometry & MOs

Info

ID:	338154
PubChem CID:	127258846
Reduced:	BrClNO2H9C10 (1)
Stoich.:	ABCD2E9F10 (1)
Weight, g/mol:	254.98949
ΔH_f, kcal/mol:	-55.07
Dipole, Da:	3.26
IP(EA), eV:	-9.35(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations