Geometry & MOs

Info

ID:	228365
PubChem CID:	87564091
Reduced:	NPC6O6H16 (1)
Stoich.:	ABC6D6E16 (1)
Weight, g/mol:	351.1293
ΔH_f, kcal/mol:	-356.88
Dipole, Da:	2.66
IP(EA), eV:	-9.9(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-methyl-4-propan-2-ylsulfanylphenoxy)quinolin-6-yl]acetaldehyde

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)O)N.OP(=O)(O)O

DOS

IR

Vibrations