Geometry & MOs

Info

ID:	307555
PubChem CID:	125307470
Reduced:	BrN2O2C5H5 (1)
Stoich.:	AB2C2D5E5 (1)
Weight, g/mol:	203.95344
ΔH_f, kcal/mol:	-37.95
Dipole, Da:	4.8
IP(EA), eV:	-10.77(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-bromo-4-methyl-3H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(N=N[C@@H]1Br)C(=O)O

DOS

IR

Vibrations