Geometry & MOs

Info

ID:	357891
PubChem CID:	127295391
Reduced:	ClO2N3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	392.224597
ΔH_f, kcal/mol:	-98.33
Dipole, Da:	5.3
IP(EA), eV:	-8.94(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)CCC(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations