Geometry & MOs

Info

ID:	307554
PubChem CID:	125307465
Reduced:	ON5C15H15 (1)
Stoich.:	AB5C15D15 (1)
Weight, g/mol:	203.95344
ΔH_f, kcal/mol:	50.21
Dipole, Da:	6.53
IP(EA), eV:	-8.96(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)[C@H]2CC(=O)N=C3N2C4=CC=CC=C4N3)C

DOS

IR

Vibrations