Geometry & MOs

Info

ID:	201137
PubChem CID:	79494824
Reduced:	OS2N3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	264.129634
ΔH_f, kcal/mol:	15.98
Dipole, Da:	4.25
IP(EA), eV:	-9.24(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(2-thiophen-2-ylethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CN(CCC1=CC=CS1)C(=O)C2=CSC(=N2)CCN

DOS

IR

Vibrations