Geometry & MOs

Info

ID:	30720
PubChem CID:	841764
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	342.98355
ΔH_f, kcal/mol:	-103.66
Dipole, Da:	7.46
IP(EA), eV:	-9.96(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)-1,5-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C=CCN(CC=C)C(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)O

DOS

IR

Vibrations