Geometry & MOs

Info

ID:	176967
PubChem CID:	76118949
Reduced:	OC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	467.303559
ΔH_f, kcal/mol:	-59.0
Dipole, Da:	2.16
IP(EA), eV:	-10.25(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-[2-(5-ethoxy-3-methyl-5-oxopenta-1,3-dienyl)-1-methylcyclopropyl]-4,4,7-trimethyl-2,3-dihydroquinoline-1-carboxylate

Drug info:

PubChemData

Smile

CC1(C(C1C(=O)OC(C)(C)C)C#C)C

DOS

IR

Vibrations