Geometry & MOs

Info

ID:	377819
PubChem CID:	134223884
Reduced:	NO5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	459.181251
ΔH_f, kcal/mol:	-116.24
Dipole, Da:	9.64
IP(EA), eV:	-9.0(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations