Geometry & MOs

Info

ID:	395427
PubChem CID:	135025432
Reduced:	NPO7C19H30 (1)
Stoich.:	ABC7D19E30 (1)
Weight, g/mol:	325.167794
ΔH_f, kcal/mol:	-335.86
Dipole, Da:	3.22
IP(EA), eV:	-9.37(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-methyl-2-pent-4-enoylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCOP(=O)([C@](CC1=CC=CC=C1)(C(=O)C)ONC(=O)OC(C)(C)C)OCC

DOS

IR

Vibrations