Geometry & MOs

Info

ID:	295194
PubChem CID:	117521020
Reduced:	BrNO4H14C18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	390.00153
ΔH_f, kcal/mol:	-45.82
Dipole, Da:	4.58
IP(EA), eV:	-9.56(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-5-fluoro-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC2=CC=CC=C2)Br)C3=NOC(=C3)C(=O)O

DOS

IR

Vibrations