Geometry & MOs

Info

ID:	370794
PubChem CID:	127340578
Reduced:	ON2C16H28 (1)
Stoich.:	AB2C16D28 (1)
Weight, g/mol:	313.19026
ΔH_f, kcal/mol:	-71.83
Dipole, Da:	4.04
IP(EA), eV:	-8.61(1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclopentyl-1,4-diazepan-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CCCN(CC2)C3CCCC3

DOS

IR

Vibrations