Geometry & MOs

Info

ID:	348236
PubChem CID:	127273301
Reduced:	NOC7H11 (3)
Stoich.:	ABC7D11 (3)
Weight, g/mol:	390.237939
ΔH_f, kcal/mol:	-169.83
Dipole, Da:	5.61
IP(EA), eV:	-9.12(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(morpholine-4-carbonyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)NC2C3CC4CC(C3)CC2C4)C(=O)N5CCOCC5

DOS

IR

Vibrations