Geometry & MOs

Info

ID:	377961
PubChem CID:	134224028
Reduced:	ClNO2C19H22 (1)
Stoich.:	ABC2D19E22 (1)
Weight, g/mol:	455.230788
ΔH_f, kcal/mol:	-60.39
Dipole, Da:	5.98
IP(EA), eV:	-8.86(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-tert-butyl-10-methoxy-9-(3-methoxycyclobutyl)oxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(CC1=CC(=C(C=C1)Cl)OCC2=CC=CC=C2)NC=O

DOS

IR

Vibrations