Geometry & MOs

Info

ID:	244285
PubChem CID:	99319685
Reduced:	BrON5H20C22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	449.08512
ΔH_f, kcal/mol:	91.66
Dipole, Da:	3.84
IP(EA), eV:	-9.12(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromopyrazol-1-yl)-N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=C2)[C@@H](C)NC(=O)C3=CC(=CC=C3)N4C=C(C=N4)Br

DOS

IR

Vibrations