Geometry & MOs

Info

ID:	444210
PubChem CID:	135261722
Reduced:	N3O5C12H15 (1)
Stoich.:	A3B5C12D15 (1)
Weight, g/mol:	563.255735
ΔH_f, kcal/mol:	-178.52
Dipole, Da:	4.91
IP(EA), eV:	-10.01(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]propanamide

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2C(=O)C=C(C=N2)OCCCO

DOS

IR

Vibrations