Geometry & MOs

Info

ID:	438972
PubChem CID:	135228733
Reduced:	O3N4C28H36 (1)
Stoich.:	A3B4C28D36 (1)
Weight, g/mol:	435.215806
ΔH_f, kcal/mol:	-64.47
Dipole, Da:	10.03
IP(EA), eV:	-9.06(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN=C(N)/N=C\C(=C/C)\C1=C(C=C2C(=C1)CC(N3C2=CC(=O)C(=C3)C(=O)C)C(C)(C)C)OC

DOS

IR

Vibrations