Geometry & MOs

Info

ID:	137923
PubChem CID:	52283950
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	307.103572
ΔH_f, kcal/mol:	-72.76
Dipole, Da:	2.39
IP(EA), eV:	-8.99(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-chlorophenyl)methyl-cyclopropyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]azanium

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CNC(=O)/C=C/C2=CC3=CC=CC=C3O2

DOS

IR

Vibrations