Geometry & MOs

Info

ID:	357871
PubChem CID:	127295371
Reduced:	SO2N4C20H30 (1)
Stoich.:	AB2C4D20E30 (1)
Weight, g/mol:	345.252861
ΔH_f, kcal/mol:	-77.69
Dipole, Da:	2.87
IP(EA), eV:	-8.45(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)CC(=O)NC3=NC4=C(S3)CCC4

DOS

IR

Vibrations