Geometry & MOs

Info

ID:	156823
PubChem CID:	56394554
Reduced:	ClN3O3C20H24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	439.148511
ΔH_f, kcal/mol:	-95.99
Dipole, Da:	3.09
IP(EA), eV:	-9.17(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-benzyl-1,3-thiazol-4-yl)-N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2CCC(C2)CNC(=O)C(C)NC(=O)C3=COC=C3

DOS

IR

Vibrations