Geometry & MOs

Info

ID:	353924
PubChem CID:	127285564
Reduced:	O2N3C13H25 (1)
Stoich.:	A2B3C13D25 (1)
Weight, g/mol:	277.19026
ΔH_f, kcal/mol:	-110.02
Dipole, Da:	2.56
IP(EA), eV:	-8.74(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCOC(C1)CNC(=O)NCC2CCCC2

DOS

IR

Vibrations