Geometry & MOs

Info

ID:	311010
PubChem CID:	126588801
Reduced:	BrClNO3C18H19 (1)
Stoich.:	ABCD3E18F19 (1)
Weight, g/mol:	417.09396
ΔH_f, kcal/mol:	-114.18
Dipole, Da:	2.72
IP(EA), eV:	-8.84(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)OCC2=C(C=CC=C2Cl)NC(=O)OC)Br

DOS

IR

Vibrations