Geometry & MOs

Info

ID:	30358
PubChem CID:	841190
Reduced:	BrON4C15H15 (1)
Stoich.:	ABC4D15E15 (1)
Weight, g/mol:	329.093104
ΔH_f, kcal/mol:	71.35
Dipole, Da:	2.31
IP(EA), eV:	-9.24(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)-[(5S)-3-ethyl-5-hydroxy-5-pyridin-3-yl-4H-pyrazol-1-yl]methanone

Drug info:

PubChemData

Smile

C/C(=C/C1=CC=CC=C1)/C=NNC(=O)C2=C(C=NN2C)Br

DOS

IR

Vibrations