Geometry & MOs

Info

ID:	29870
PubChem CID:	837918
Reduced:	BrNOC11H14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-43.11
Dipole, Da:	2.06
IP(EA), eV:	-8.96(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methylbutanamide

Drug info:

PubChemData

Smile

CC[C@H](C)C(=O)NC1=CC=CC=C1Br

DOS

IR

Vibrations