Geometry & MOs

Info

ID:	280341
PubChem CID:	103848513
Reduced:	BrNOSC13H14 (1)
Stoich.:	ABCDE13F14 (1)
Weight, g/mol:	279.02588
ΔH_f, kcal/mol:	9.64
Dipole, Da:	3.53
IP(EA), eV:	-9.07(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-methyl-N-pent-4-ynylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)NCCSCC#C)Br

DOS

IR

Vibrations