Geometry & MOs

Info

ID:	438995
PubChem CID:	135228756
Reduced:	N3O4C27H33 (1)
Stoich.:	A3B4C27D33 (1)
Weight, g/mol:	446.220557
ΔH_f, kcal/mol:	-116.17
Dipole, Da:	6.12
IP(EA), eV:	-9.1(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)C4=CC=NN4C(C)C)C(C)(C)C

DOS

IR

Vibrations