Geometry & MOs

Info

ID:	208018
PubChem CID:	80481483
Reduced:	BrNSC13H22 (1)
Stoich.:	ABCD13E22 (1)
Weight, g/mol:	299.098
ΔH_f, kcal/mol:	-4.8
Dipole, Da:	2.52
IP(EA), eV:	-8.99(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-3,5-dimethylbenzamide

Drug info:

PubChemData

Smile

CCCCC(CC)CNCC1=C(C=CS1)Br

DOS

IR

Vibrations