Geometry & MOs

Info

ID:	266766
PubChem CID:	103579327
Reduced:	NO2C11H17 (1)
Stoich.:	AB2C11D17 (1)
Weight, g/mol:	298.97125
ΔH_f, kcal/mol:	-70.19
Dipole, Da:	2.98
IP(EA), eV:	-9.72(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-chloro-N-pent-1-yn-3-ylbenzamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1CCC(O1)C

DOS

IR

Vibrations