Geometry & MOs

Info

ID:	353067
PubChem CID:	127284217
Reduced:	O3N4C18H24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	296.163711
ΔH_f, kcal/mol:	-122.19
Dipole, Da:	7.88
IP(EA), eV:	-8.36(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C(=O)C1)CC(=O)NC2=CC=CC=C2NC(=O)N3CCCC3

DOS

IR

Vibrations