Geometry & MOs

Info

ID:	377968
PubChem CID:	134224035
Reduced:	NO6C25H31 (1)
Stoich.:	AB6C25D31 (1)
Weight, g/mol:	485.241352
ΔH_f, kcal/mol:	-221.53
Dipole, Da:	16.38
IP(EA), eV:	-8.88(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)OCC4CC(C4)OC

DOS

IR

Vibrations