Geometry & MOs

Info

ID:	310916
PubChem CID:	126588460
Reduced:	ClNO4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	385.089242
ΔH_f, kcal/mol:	-86.66
Dipole, Da:	3.64
IP(EA), eV:	-8.63(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[2-[(2-chloro-4-ethylphenoxy)methyl]-3-(difluoromethyl)phenyl]-N-hydroxycarbamate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2N(C(=O)OC)O)C3CC3)Cl

DOS

IR

Vibrations