Geometry & MOs

Info

ID:	355432
PubChem CID:	127288495
Reduced:	O2N6C17H18 (1)
Stoich.:	A2B6C17D18 (1)
Weight, g/mol:	341.131031
ΔH_f, kcal/mol:	5.71
Dipole, Da:	4.58
IP(EA), eV:	-9.55(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN2C(=NC=C(C2=O)C(=O)N3CCCC(C3)N4C=NC=N4)C=C1

DOS

IR

Vibrations