Geometry & MOs

Info

ID:	280340
PubChem CID:	103848504
Reduced:	BrNOC14H18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	310.99795
ΔH_f, kcal/mol:	-31.25
Dipole, Da:	3.78
IP(EA), eV:	-9.33(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-methyl-N-(2-prop-2-ynylsulfanylethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)NCC2CC2(C)C)Br

DOS

IR

Vibrations