Geometry & MOs

Info

ID:	377759
PubChem CID:	134223824
Reduced:	ClNO4C19H20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	475.176165
ΔH_f, kcal/mol:	-151.09
Dipole, Da:	9.49
IP(EA), eV:	-9.22(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 10-chloro-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)Cl)O)C(C)C

DOS

IR

Vibrations