Geometry & MOs

Info

ID:	339281
PubChem CID:	127260660
Reduced:	O2C9H16 (1)
Stoich.:	A2B9C16 (1)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	-114.01
Dipole, Da:	2.26
IP(EA), eV:	-9.66(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 2-ethylbutanoate

Drug info:

PubChemData

Smile

C[C@H]1CC(=O)[C@@H](C(C1)(C)C)O

DOS

IR

Vibrations