Geometry & MOs

Info

ID:	29150
PubChem CID:	831974
Reduced:	NSO5C12H15 (1)
Stoich.:	ABC5D12E15 (1)
Weight, g/mol:	293.01637
ΔH_f, kcal/mol:	-174.94
Dipole, Da:	4.61
IP(EA), eV:	-8.7(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4-methylphenyl)-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)OC)[C@@H]2N[C@H](CS2)C(=O)O

DOS

IR

Vibrations