Geometry & MOs

Info

ID:	361647
PubChem CID:	127303979
Reduced:	ON8C20H26 (1)
Stoich.:	AB8C20D26 (1)
Weight, g/mol:	381.162332
ΔH_f, kcal/mol:	85.38
Dipole, Da:	4.89
IP(EA), eV:	-8.68(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3,4-dimethylthieno[2,3-b]pyridin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2=NNC(=C2)C(=O)N3CCC(CC3)C4=NN=CN4C5CC5

DOS

IR

Vibrations