Geometry & MOs

Info

ID:	357908
PubChem CID:	127295408
Reduced:	ON5C20H33 (1)
Stoich.:	AB5C20D33 (1)
Weight, g/mol:	392.224597
ΔH_f, kcal/mol:	-31.25
Dipole, Da:	8.77
IP(EA), eV:	-9.01(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

C1CCC2=NN=C(N2CC1)CN3CCCN(CC3)C(=O)CC4CCCC4

DOS

IR

Vibrations