Geometry & MOs

Info

ID:	427450
PubChem CID:	135159039
Reduced:	ON7H21C23 (1)
Stoich.:	AB7C21D23 (1)
Weight, g/mol:	399.06947
ΔH_f, kcal/mol:	119.55
Dipole, Da:	3.56
IP(EA), eV:	-8.97(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-(aminomethyl)-2,3-dihydro-1H-benzimidazol-2-yl]-3-(4-bromophenyl)-1-methylpyrazol-4-ol

Drug info:

PubChemData

Smile

CN1C(C(C(=N1)C2=CN=C(C=C2)C3=CC=CC=C3)O)C4=NC5=C(N4)C=C(C=C5)C(=N)N

DOS

IR

Vibrations