Geometry & MOs

Info

ID:	444747
PubChem CID:	135263413
Reduced:	BrNO2C9H10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	398.130028
ΔH_f, kcal/mol:	-72.2
Dipole, Da:	1.92
IP(EA), eV:	-9.35(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[3-methoxy-2-[[2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]phenyl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations