Geometry & MOs

Info

ID:	211666
PubChem CID:	81049317
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	227.058027
ΔH_f, kcal/mol:	-130.24
Dipole, Da:	8.99
IP(EA), eV:	-9.52(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,7-difluoro-3-methyl-1-benzothiophen-2-yl)-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=O)N)N(CC(=O)O)C2CCCC2

DOS

IR

Vibrations