Geometry & MOs

Info

ID:	261947
PubChem CID:	103260692
Reduced:	BrNSO2C14H14 (1)
Stoich.:	ABCD2E14F14 (1)
Weight, g/mol:	200.077262
ΔH_f, kcal/mol:	-52.09
Dipole, Da:	4.33
IP(EA), eV:	-9.06(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,2-dimethylhydrazinyl)methyl]-3,3,3-trifluoropropanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NCC2=C(SC(=C2)C(=O)O)C)Br

DOS

IR

Vibrations