Geometry & MOs

Info

ID:	448201
PubChem CID:	135289215
Reduced:	OSN6H28C31 (1)
Stoich.:	ABC6D28E31 (1)
Weight, g/mol:	459.180758
ΔH_f, kcal/mol:	146.02
Dipole, Da:	14.08
IP(EA), eV:	-8.38(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-(4-pyridin-4-ylpyrrolo[3,2-c]pyridin-2-ylidene)-1,2-dihydroindazol-5-yl]pyridin-3-yl]propanamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(S1)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=C5)C6=CN=CC(=C6)CN7CCCCC7)NN4)/C=C32

DOS

IR

Vibrations