Geometry & MOs

Info

ID:	16915
PubChem CID:	479632
Reduced:	F2N3O3C19H21 (1)
Stoich.:	A2B3C3D19E21 (1)
Weight, g/mol:	377.155098
ΔH_f, kcal/mol:	-163.47
Dipole, Da:	11.37
IP(EA), eV:	-8.86(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(3S,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4C[C@H]([C@@H](C4)N)CF

DOS

IR

Vibrations