Geometry & MOs

Info

ID:	168620
PubChem CID:	74996176
Reduced:	Cl2N3O4C28H35 (1)
Stoich.:	A2B3C4D28E35 (1)
Weight, g/mol:	443.146819
ΔH_f, kcal/mol:	-158.9
Dipole, Da:	6.14
IP(EA), eV:	-8.74(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-(aminomethyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NCC2CCN(CC2)CC3CCNC(=O)C3)OCCC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations