Geometry & MOs

Info

ID:	310361
PubChem CID:	126579230
Reduced:	O2Cl3N4C24H29 (1)
Stoich.:	A2B3C4D24E29 (1)
Weight, g/mol:	314.071428
ΔH_f, kcal/mol:	-67.07
Dipole, Da:	2.71
IP(EA), eV:	-8.35(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(difluoromethoxy)-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoate

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1C(=O)N2CCOCC2)C3=CC(=C(C=C3)Cl)NC(C)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations