Geometry & MOs

Info

ID:	233408
PubChem CID:	89856007
Reduced:	FO3N6C21H25 (1)
Stoich.:	AB3C6D21E25 (1)
Weight, g/mol:	505.202637
ΔH_f, kcal/mol:	-80.72
Dipole, Da:	10.24
IP(EA), eV:	-8.78(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(2Z)-2-[5-[5-(ethylaminomethyl)pyridin-3-yl]-1,2-dihydroindazol-3-ylidene]imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]acetaldehyde

Drug info:

PubChemData

Smile

C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)NNCCC#N

DOS

IR

Vibrations