Geometry & MOs

Info

ID:	244106
PubChem CID:	99313675
Reduced:	FO3N5C22H26 (1)
Stoich.:	AB3C5D22E26 (1)
Weight, g/mol:	439.0444
ΔH_f, kcal/mol:	-138.67
Dipole, Da:	9.97
IP(EA), eV:	-8.67(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromopyrazol-1-yl)-N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]benzamide

Drug info:

PubChemData

Smile

CCC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=C(N=CN3C)C4=CC=C(C=C4)F

DOS

IR

Vibrations