Geometry & MOs

Info

ID:	347263
PubChem CID:	127272022
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	332.155849
ΔH_f, kcal/mol:	-127.16
Dipole, Da:	2.96
IP(EA), eV:	-8.89(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohex-3-en-1-ylmethylamino)-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)NCC3CC4=CC=CC=C4O3

DOS

IR

Vibrations