Geometry & MOs

Info

ID:	309789
PubChem CID:	126558892
Reduced:	N4C7H16 (1)
Stoich.:	A4B7C16 (1)
Weight, g/mol:	501.207722
ΔH_f, kcal/mol:	14.76
Dipole, Da:	1.58
IP(EA), eV:	-8.4(1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclobutylethenyl)-5-[(3E)-3-[4-(4-fluorophenyl)benzimidazol-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine

Drug info:

PubChemData

Smile

C[C@@H]1NC2CCNC(N2N1)C

DOS

IR

Vibrations