Geometry & MOs

Info

ID:	447358
PubChem CID:	135282241
Reduced:	ClO3N4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	365.04381
ΔH_f, kcal/mol:	-64.07
Dipole, Da:	5.82
IP(EA), eV:	-9.7(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-bromo-2,3-difluorophenoxy)-2,4-dimethylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)CC(C)(COC1=C(C=C(C=C1)C2=CC(=NC=N2)Cl)C#N)NC(=O)O

DOS

IR

Vibrations