Geometry & MOs

Info

ID:	72332
PubChem CID:	48416055
Reduced:	FON5C24H26 (1)
Stoich.:	ABC5D24E26 (1)
Weight, g/mol:	405.196489
ΔH_f, kcal/mol:	2.6
Dipole, Da:	0.76
IP(EA), eV:	-9.02(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-5-ethyl-1-(4-fluorophenyl)-N-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=C(C=NN1C2=CC=C(C=C2)F)C(=O)N(C)CCCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations