Geometry & MOs

Info

ID:	240794
PubChem CID:	93617606
Reduced:	ON5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	331.135448
ΔH_f, kcal/mol:	49.78
Dipole, Da:	6.79
IP(EA), eV:	-9.66(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[[6-[(2R)-2-methylmorpholin-4-yl]pyridin-3-yl]methyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](C=C1)CC(=O)NCC2=CN=C(C=C2)N3C=NC=N3

DOS

IR

Vibrations