Geometry & MOs

Info

ID:	30442
PubChem CID:	841342
Reduced:	ClN2O3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	263.134385
ΔH_f, kcal/mol:	-48.81
Dipole, Da:	5.67
IP(EA), eV:	-8.66(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

COCC1=C(C=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)Cl)OC

DOS

IR

Vibrations