Geometry & MOs

Info

ID:	283560
PubChem CID:	103988982
Reduced:	BrINOC13H15 (1)
Stoich.:	ABCDE13F15 (1)
Weight, g/mol:	270.93995
ΔH_f, kcal/mol:	-24.52
Dipole, Da:	4.0
IP(EA), eV:	-9.59(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-chloro-N-prop-2-ynylbenzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)I)Br

DOS

IR

Vibrations