Geometry & MOs

Info

ID:	141897
PubChem CID:	52948595
Reduced:	NO4C20H23 (1)
Stoich.:	AB4C20D23 (1)
Weight, g/mol:	436.118082
ΔH_f, kcal/mol:	-129.84
Dipole, Da:	3.2
IP(EA), eV:	-9.1(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3S)-piperidin-3-yl]amino]-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)/C=C/C(=O)CCC(=O)N(CCO)CCO

DOS

IR

Vibrations