Geometry & MOs

Info

ID:	241086
PubChem CID:	93621647
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	332.153621
ΔH_f, kcal/mol:	-78.99
Dipole, Da:	4.05
IP(EA), eV:	-9.17(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@@H](C1)N(CCO2)C(=O)CN3C(=O)C4=CC=CC=C4C=N3

DOS

IR

Vibrations