Geometry & MOs

Info

ID:	287880
PubChem CID:	104297347
Reduced:	BrNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	349.0136
ΔH_f, kcal/mol:	-98.34
Dipole, Da:	4.06
IP(EA), eV:	-9.61(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)(CO)NC(=O)C2=CC(=C(C=C2)Br)C

DOS

IR

Vibrations