Geometry & MOs

Info

ID:	358545
PubChem CID:	127296141
Reduced:	ON6C17H28 (1)
Stoich.:	AB6C17D28 (1)
Weight, g/mol:	346.24811
ΔH_f, kcal/mol:	-22.37
Dipole, Da:	4.77
IP(EA), eV:	-8.82(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-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

CC1=NN2CC(CCC2=N1)NC(=O)N3CCC(C3)N4CCCCC4

DOS

IR

Vibrations