Geometry & MOs

Info

ID:	311018
PubChem CID:	126588826
Reduced:	N2O3C21H28 (1)
Stoich.:	A2B3C21D28 (1)
Weight, g/mol:	445.05004
ΔH_f, kcal/mol:	-97.32
Dipole, Da:	6.46
IP(EA), eV:	-8.31(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[2-[(2-bromo-4-ethyl-5-methylphenoxy)methyl]-3-(trifluoromethyl)phenyl]carbamate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2OCC)N(C)C(=O)NC)C

DOS

IR

Vibrations