Geometry & MOs

Info

ID:	355438
PubChem CID:	127288501
Reduced:	O2N5C17H27 (1)
Stoich.:	A2B5C17D27 (1)
Weight, g/mol:	296.163711
ΔH_f, kcal/mol:	-71.27
Dipole, Da:	3.67
IP(EA), eV:	-9.69(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1H-inden-4-yl-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC(C1)N2C=NC=N2)NC(=O)C3CCCCC3

DOS

IR

Vibrations