Geometry & MOs

Info

ID:	30284
PubChem CID:	841086
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	259.103085
ΔH_f, kcal/mol:	-60.99
Dipole, Da:	7.7
IP(EA), eV:	-8.9(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(3,4-dimethylphenyl)ethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)C(=NNC(=O)C2=CC=C(C=C2)OC)C

DOS

IR

Vibrations