Geometry & MOs

Info

ID:	275811
PubChem CID:	103818025
Reduced:	N3O4C16H23 (1)
Stoich.:	A3B4C16D23 (1)
Weight, g/mol:	360.99253
ΔH_f, kcal/mol:	-177.44
Dipole, Da:	3.43
IP(EA), eV:	-8.5(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[4-(difluoromethoxy)-3-fluoroanilino]methyl]phenol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCNC1=CC(=CC=C1)N2CCOC2=O

DOS

IR

Vibrations