Geometry & MOs

Info

ID:	352486
PubChem CID:	127283574
Reduced:	ON3C9H11 (2)
Stoich.:	AB3C9D11 (2)
Weight, g/mol:	349.19026
ΔH_f, kcal/mol:	-15.48
Dipole, Da:	5.73
IP(EA), eV:	-9.5(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-propan-2-ylquinolin-4-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=O)NC(=C1CCC(=O)N2CCCC(C2)N3C=NC=N3)C)C#N

DOS

IR

Vibrations