Geometry & MOs

Info

ID:	342176
PubChem CID:	127264889
Reduced:	N5C20H23 (1)
Stoich.:	A5B20C23 (1)
Weight, g/mol:	319.096618
ΔH_f, kcal/mol:	90.74
Dipole, Da:	7.2
IP(EA), eV:	-9.07(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(trifluoromethyl)pyridin-2-yl]ethyl]thiomorpholine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC12CCN(C2)C3=NC=NC(=C3)C#N)CC4=CC=CC=C4

DOS

IR

Vibrations