Geometry & MOs

Info

ID:	377914
PubChem CID:	134223980
Reduced:	NO7C27H35 (1)
Stoich.:	AB7C27D35 (1)
Weight, g/mol:	469.246438
ΔH_f, kcal/mol:	-258.54
Dipole, Da:	15.32
IP(EA), eV:	-8.87(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-tert-butyl-10-methoxy-9-[[1-(methoxymethyl)cyclopropyl]methoxy]-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

CCCCOCC1(COC1)COC2=C(C=C3C(=C2)C[C@H](N4C3=CC(=O)C(=C4)C(=O)O)C(C)C)OC

DOS

IR

Vibrations