Geometry & MOs

Info

ID:	370769
PubChem CID:	127340549
Reduced:	ClO2N4C20H29 (1)
Stoich.:	AB2C4D20E29 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-84.16
Dipole, Da:	6.64
IP(EA), eV:	-9.03(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-(4-cyclopentyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCCN(CC2)C(=O)CNC(=O)NCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations