Geometry & MOs

Info

ID:	444753
PubChem CID:	135263429
Reduced:	BrNO3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	354.103814
ΔH_f, kcal/mol:	-83.03
Dipole, Da:	1.41
IP(EA), eV:	-8.95(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[2-[[2-methyl-4-(1,3-thiazol-5-yl)phenoxy]methyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2NC(=O)OC

DOS

IR

Vibrations