Geometry & MOs

Info

ID:	331076
PubChem CID:	127248483
Reduced:	SN3O4C23H27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	385.157246
ΔH_f, kcal/mol:	-74.27
Dipole, Da:	6.91
IP(EA), eV:	-8.45(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(C2=C(S1)N=CC=C2)C3CN(CCO3)CC4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations