Geometry & MOs

Info

ID:	311043
PubChem CID:	126588924
Reduced:	NSO3C22H29 (1)
Stoich.:	ABC3D22E29 (1)
Weight, g/mol:	298.156895
ΔH_f, kcal/mol:	-109.01
Dipole, Da:	4.63
IP(EA), eV:	-8.31(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]acetate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2OCC)N(CC)C(=O)SC)C

DOS

IR

Vibrations