Geometry & MOs

Info

ID:	308811
PubChem CID:	126522786
Reduced:	N3O5C24H33 (1)
Stoich.:	A3B5C24D33 (1)
Weight, g/mol:	394.190595
ΔH_f, kcal/mol:	-205.19
Dipole, Da:	6.61
IP(EA), eV:	-8.09(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-4-piperidin-1-yl-2-(5-pyridin-3-yl-1,2-dihydroindazol-3-ylidene)pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CC(C)(C)C1(C(CCO1)C2CCC(CN2C(=O)O)C3=CNC4=C3C=C(C=C4)OC)C(=O)N

DOS

IR

Vibrations