Geometry & MOs

Info

ID:	308807
PubChem CID:	126522746
Reduced:	N2O3C19H24 (1)
Stoich.:	A2B3C19D24 (1)
Weight, g/mol:	504.173231
ΔH_f, kcal/mol:	-101.15
Dipole, Da:	2.51
IP(EA), eV:	-8.24(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-(5-methylthiophen-2-yl)pyrrolo[2,3-b]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]cyclobutanecarboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC=C2[C@@H]3CCCN(C3)C(=O)[C@@H]4CCCO4

DOS

IR

Vibrations