Geometry & MOs

Info

ID:	362000
PubChem CID:	127305346
Reduced:	N3O4C17H27 (1)
Stoich.:	A3B4C17D27 (1)
Weight, g/mol:	356.130697
ΔH_f, kcal/mol:	-142.89
Dipole, Da:	1.63
IP(EA), eV:	-9.4(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dimethylthieno[2,3-b]pyridin-2-yl)-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOC(C1)CN2C=CC=N2)OCC3CCCCO3

DOS

IR

Vibrations