Geometry & MOs

Info

ID:	191096
PubChem CID:	78103143
Reduced:	ClOF3N4H12C18 (1)
Stoich.:	ABC3D4E12F18 (1)
Weight, g/mol:	318.18559
ΔH_f, kcal/mol:	-68.61
Dipole, Da:	2.69
IP(EA), eV:	-9.71(-2.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-7-(3-fluoropyridin-4-yl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1Cl)C2C=CC3=C4C(=CN=N4)C(=O)N(C3=C2)CC(F)(F)F

DOS

IR

Vibrations