Geometry & MOs

Info

ID:	190772
PubChem CID:	78054437
Reduced:	PF5N5O5C16H19 (1)
Stoich.:	AB5C5D5E16F19 (1)
Weight, g/mol:	509.222703
ΔH_f, kcal/mol:	-447.28
Dipole, Da:	3.05
IP(EA), eV:	-9.62(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-2-[4-[2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-2H-pyrazolo[3,4-b]quinolin-3-yl]acetamide

Drug info:

PubChemData

Smile

C1CN2C(CN1C(=O)CC(CC3=C(C=C(C=C3)F)F)N)N(N=C2C(F)(F)F)OP(=O)(O)O

DOS

IR

Vibrations