Geometry & MOs

Info

ID:	127506
PubChem CID:	51004445
Reduced:	IN2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	338.031433
ΔH_f, kcal/mol:	52.65
Dipole, Da:	1.11
IP(EA), eV:	-8.86(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(5-chlorothiophen-2-yl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN1[C@H]2CC[C@@H]1C(C2)C3=NC=CC(=C3)I

DOS

IR

Vibrations