Geometry & MOs

Info

ID:	308041
PubChem CID:	125312536
Reduced:	N2O3C19H20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	434.1278
ΔH_f, kcal/mol:	-44.85
Dipole, Da:	3.97
IP(EA), eV:	-8.98(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[5-[4-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]-3H-pyrazol-4-yl]oxy]benzoate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)[C@@H](C=N2)CCNC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations