Geometry & MOs

Info

ID:	279740
PubChem CID:	103844948
Reduced:	Cl2N2O2H14C15 (1)
Stoich.:	A2B2C2D14E15 (1)
Weight, g/mol:	311.01326
ΔH_f, kcal/mol:	-58.66
Dipole, Da:	2.25
IP(EA), eV:	-8.24(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-bromo-4-methylphenyl)methylamino]-1,1,1-trifluoropropan-2-ol

Drug info:

PubChemData

Smile

COC(=O)NC1=CC=C(C=C1)NCC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations