Geometry & MOs

Info

ID:	439025
PubChem CID:	135228788
Reduced:	NO3C20H27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	449.231456
ΔH_f, kcal/mol:	-106.47
Dipole, Da:	3.07
IP(EA), eV:	-9.15(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-tert-butyl-9-(2,5-dimethylpyrazol-3-yl)-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1CCC(CC1)C(CCC2=CC=CC=C2/C=C/N=C)O

DOS

IR

Vibrations