Geometry & MOs

Info

ID:	427441
PubChem CID:	135158984
Reduced:	ON5C26H31 (1)
Stoich.:	AB5C26D31 (1)
Weight, g/mol:	410.185509
ΔH_f, kcal/mol:	40.13
Dipole, Da:	5.64
IP(EA), eV:	-7.96(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-(4-pyridin-4-ylphenyl)-3-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3,4-dihydropyrazol-4-ol

Drug info:

PubChemData

Smile

CCCCCC(C)C1=CC=C(C=C1)C2=NN(C(=C3NC4=C(N3)C=C5CNCC5=C4)C2=O)C

DOS

IR

Vibrations