Geometry & MOs

Info

ID:	279210
PubChem CID:	103842073
Reduced:	BrClNOSC11H11 (1)
Stoich.:	ABCDEF11G11 (1)
Weight, g/mol:	235.076392
ΔH_f, kcal/mol:	-26.37
Dipole, Da:	2.94
IP(EA), eV:	-8.79(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methyl-N-pent-4-ynylbenzamide

Drug info:

PubChemData

Smile

C1CSCC1NC(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations