Geometry & MOs

Info

ID:	377963
PubChem CID:	134224030
Reduced:	O2F3N3C16H18 (1)
Stoich.:	A2B3C3D16E18 (1)
Weight, g/mol:	431.149951
ΔH_f, kcal/mol:	-192.71
Dipole, Da:	8.2
IP(EA), eV:	-8.69(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 10-chloro-2-oxo-9-[(3R)-oxolan-3-yl]oxy-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1OC(C)C)NC(=O)C2=CN(N=C2C(F)(F)F)C

DOS

IR

Vibrations