Geometry & MOs

Info

ID:	338423
PubChem CID:	127259115
Reduced:	BrClNO3H7C9 (1)
Stoich.:	ABCD3E7F9 (1)
Weight, g/mol:	289.94577
ΔH_f, kcal/mol:	-110.5
Dipole, Da:	6.34
IP(EA), eV:	-9.38(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-N-(4-bromoanilino)-C-chlorocarbonimidoyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC(=O)NC1=CC(=C(C=C1)Br)Cl

DOS

IR

Vibrations