Geometry & MOs

Info

ID:	377818
PubChem CID:	134223883
Reduced:	NO6C21H23 (1)
Stoich.:	AB6C21D23 (1)
Weight, g/mol:	381.157623
ΔH_f, kcal/mol:	-201.24
Dipole, Da:	9.45
IP(EA), eV:	-8.88(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 10-methoxy-9-(4-methoxybut-1-ynyl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2CCC3=CC(=C(C=C3C2=CC1=O)OC)OC4CCOC4

DOS

IR

Vibrations