Geometry & MOs

Info

ID:	438774
PubChem CID:	135228528
Reduced:	NOC30H35 (1)
Stoich.:	ABC30D35 (1)
Weight, g/mol:	466.22162
ΔH_f, kcal/mol:	12.63
Dipole, Da:	6.55
IP(EA), eV:	-7.64(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-tert-butyl-9-[1-(3-hydroxypropyl)-1,2,4-triazol-3-yl]-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(N3C=C(C(=C)C=C3C2=C1)C(=C)OCC)C(C)(C)C)C4=CC=CC=C4

DOS

IR

Vibrations