Geometry & MOs

Info

ID:	56029
PubChem CID:	17403853
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	354.140199
ΔH_f, kcal/mol:	-39.75
Dipole, Da:	4.11
IP(EA), eV:	-7.73(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3O

DOS

IR

Vibrations