Geometry & MOs

Info

ID:	244284
PubChem CID:	99319682
Reduced:	ON6C23H26 (1)
Stoich.:	AB6C23D26 (1)
Weight, g/mol:	449.08512
ΔH_f, kcal/mol:	66.69
Dipole, Da:	6.78
IP(EA), eV:	-9.29(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromopyrazol-1-yl)-N-[(1R)-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=CN=C4C(=C3)C=NN4CC(C)C

DOS

IR

Vibrations