Geometry & MOs

Info

ID:	297448
PubChem CID:	117617876
Reduced:	O2N3H17C24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	415.169605
ΔH_f, kcal/mol:	38.79
Dipole, Da:	3.2
IP(EA), eV:	-8.57(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-fluoropropyl)-3-[(4-methoxyphenyl)methyl]pyridazino[4,5-c]carbazol-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C=CC3=C(C2=O)C=CC4=C3C5=C(C=CC=C5N4)C#N

DOS

IR

Vibrations