Geometry & MOs

Info

ID:	121984
PubChem CID:	50788837
Reduced:	ON3C27H31 (1)
Stoich.:	AB3C27D31 (1)
Weight, g/mol:	478.211724
ΔH_f, kcal/mol:	11.72
Dipole, Da:	4.2
IP(EA), eV:	-8.68(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-acetamido-3-methyl-4-phenylpyrazol-1-yl)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CC=C(C2=N1)C3=CC=CC=C3)C(=O)N4CCN(CC4)C5CCCCC5

DOS

IR

Vibrations