Geometry & MOs

Info

ID:	377956
PubChem CID:	134224023
Reduced:	ClNF3O3H13C23 (1)
Stoich.:	ABC3D3E13F23 (1)
Weight, g/mol:	453.170686
ΔH_f, kcal/mol:	-190.88
Dipole, Da:	4.14
IP(EA), eV:	-9.64(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 10-chloro-2-oxo-9-phenylmethoxy-6-propan-2-yl-1,6,7,11b-tetrahydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=C(N(C3=C2C=CC(=C3)C(F)(F)F)C4=CC=C(C=C4)Cl)C(=O)O

DOS

IR

Vibrations