Geometry & MOs

Info

ID:	444752
PubChem CID:	135263427
Reduced:	NO3C14H15 (2)
Stoich.:	AB3C14D15 (2)
Weight, g/mol:	349.03136
ΔH_f, kcal/mol:	-193.07
Dipole, Da:	9.01
IP(EA), eV:	-8.84(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C1C=CC(=C2)C3(CC3)C(=O)O.CC(=O)N1CCC2=C1C=CC(=C2)C3(CC3)C(=O)O

DOS

IR

Vibrations