Geometry & MOs

Info

ID:	279212
PubChem CID:	103842078
Reduced:	BrClNO3C14H15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	298.97125
ΔH_f, kcal/mol:	-117.29
Dipole, Da:	5.42
IP(EA), eV:	-9.71(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-pent-4-yn-2-ylbenzamide

Drug info:

PubChemData

Smile

COC(=O)[C@H]1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations