Geometry & MOs

Info

ID:	367466
PubChem CID:	127324715
Reduced:	ON8C15H22 (1)
Stoich.:	AB8C15D22 (1)
Weight, g/mol:	360.26376
ΔH_f, kcal/mol:	28.89
Dipole, Da:	3.96
IP(EA), eV:	-9.72(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NC3CCC4=NC=NN4C3

DOS

IR

Vibrations