Geometry & MOs

Info

ID:	359372
PubChem CID:	127298507
Reduced:	ON5C18H31 (1)
Stoich.:	AB5C18D31 (1)
Weight, g/mol:	359.268511
ΔH_f, kcal/mol:	-45.11
Dipole, Da:	8.64
IP(EA), eV:	-9.26(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1CN2CCC(CC2)NC(=O)CC3CCCC3)C

DOS

IR

Vibrations