Geometry & MOs

Info

ID:	284394
PubChem CID:	104046431
Reduced:	BrNSO2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	289.092578
ΔH_f, kcal/mol:	-40.65
Dipole, Da:	2.57
IP(EA), eV:	-9.36(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-cyclopropyl-2-[4-(trifluoromethoxy)anilino]acetate

Drug info:

PubChemData

Smile

COC(=O)C(C1CC1)NCCC2=CC=C(S2)Br

DOS

IR

Vibrations