Geometry & MOs

Info

ID:	438794
PubChem CID:	135228551
Reduced:	O7C21H24 (1)
Stoich.:	A7B21C24 (1)
Weight, g/mol:	445.236542
ΔH_f, kcal/mol:	-247.06
Dipole, Da:	4.1
IP(EA), eV:	-8.76(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C[C@@H](C=O)[C@@H](CC2=CC(=C(C=C2)O)OC)C(=O)OC)O

DOS

IR

Vibrations