Geometry & MOs

Info

ID:	391840
PubChem CID:	135010127
Reduced:	BrNOH10C13 (1)
Stoich.:	ABCD10E13 (1)
Weight, g/mol:	357.118793
ΔH_f, kcal/mol:	3.17
Dipole, Da:	2.39
IP(EA), eV:	-8.17(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-(benzylamino)-5-oxocyclopenten-1-yl]-3,3,3-trifluoro-2-hydroxypropanoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC3=C2C(=C(C=C3)O)Br

DOS

IR

Vibrations