Geometry & MOs

Info

ID:	295059
PubChem CID:	117513682
Reduced:	BrN2O3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	336.01095
ΔH_f, kcal/mol:	-38.2
Dipole, Da:	3.99
IP(EA), eV:	-9.32(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-bromo-2-(cyclopropylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1COC2=CC(=CC(=C2)C3=NNC(=C3)C(=O)O)Br

DOS

IR

Vibrations