Geometry & MOs

Info

ID:	448198
PubChem CID:	135289196
Reduced:	FO2N3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	403.154544
ΔH_f, kcal/mol:	-61.97
Dipole, Da:	5.54
IP(EA), eV:	-9.1(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC=C1OCCN2C3=C(C=C(C=C3)F)C(=N2)C(=O)NC

DOS

IR

Vibrations