Geometry & MOs

Info

ID:	444756
PubChem CID:	135263432
Reduced:	BrNO2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	408.075548
ΔH_f, kcal/mol:	-77.37
Dipole, Da:	6.35
IP(EA), eV:	-8.89(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]methyl]phenyl]carbamic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N(C)C(=O)O)CBr

DOS

IR

Vibrations