Geometry & MOs

Info

ID:	300092
PubChem CID:	119526781
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	376.137612
ΔH_f, kcal/mol:	-0.93
Dipole, Da:	4.38
IP(EA), eV:	-8.6(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(CNC(=O)CN2CCN(CC2)C3=CC=CC=N3)N

DOS

IR

Vibrations