Geometry & MOs

Info

ID:	407145
PubChem CID:	135079426
Reduced:	ClN3O5C18H18 (1)
Stoich.:	AB3C5D18E18 (1)
Weight, g/mol:	341.06266
ΔH_f, kcal/mol:	-99.1
Dipole, Da:	6.55
IP(EA), eV:	-9.1(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-(2-bromo-4-methoxyphenyl)-N-cyclohexylcarbamate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=C1)Cl)NC2=C(C=CC(=C2)N3CCOCC3)[N+](=O)[O-]

DOS

IR

Vibrations