Geometry & MOs

Info

ID:	310970
PubChem CID:	126588646
Reduced:	NO3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	405.09396
ΔH_f, kcal/mol:	-122.95
Dipole, Da:	3.43
IP(EA), eV:	-8.5(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[3-bromo-2-[(2,4-diethyl-5-methylphenoxy)methyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)OCC2=C(C=CC=C2NC(=O)OC)C)CC

DOS

IR

Vibrations