Geometry & MOs

Info

ID:	287883
PubChem CID:	104297378
Reduced:	BrNOC17H24 (1)
Stoich.:	ABCD17E24 (1)
Weight, g/mol:	351.02925
ΔH_f, kcal/mol:	-61.23
Dipole, Da:	3.22
IP(EA), eV:	-9.7(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1CCCC(C1)CCNC(=O)C2=CC(=C(C=C2)Br)C

DOS

IR

Vibrations