Geometry & MOs

Info

ID:	438750
PubChem CID:	135228503
Reduced:	ON3C26H33 (1)
Stoich.:	AB3C26D33 (1)
Weight, g/mol:	449.231456
ΔH_f, kcal/mol:	26.23
Dipole, Da:	5.88
IP(EA), eV:	-7.4(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-tert-butyl-9-(2,4-dimethylpyrazol-3-yl)-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

CC(=C)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=C)OC)/C(=C(\C)/N)/C=N)C(C)(C)C

DOS

IR

Vibrations