Geometry & MOs

Info

ID:	444746
PubChem CID:	135263412
Reduced:	BrNO4C17H18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	242.98949
ΔH_f, kcal/mol:	-119.88
Dipole, Da:	2.55
IP(EA), eV:	-8.81(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(bromomethyl)-3-methylphenyl] carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)OCC2=C(C=CC=C2OC)NC(=O)OC

DOS

IR

Vibrations