Geometry & MOs

Info

ID:	420214
PubChem CID:	135111873
Reduced:	ClNO4C15H16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-138.08
Dipole, Da:	4.12
IP(EA), eV:	-9.43(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[2-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-2-oxoethyl]quinolin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CN2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O)Cl

DOS

IR

Vibrations