Geometry & MOs

Info

ID:	391835
PubChem CID:	135010115
Reduced:	NO2H17C22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	339.219829
ΔH_f, kcal/mol:	5.43
Dipole, Da:	3.52
IP(EA), eV:	-8.31(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[hexyl-[(1S)-1-phenylethyl]amino]benzoate

Drug info:

PubChemData

Smile

C=C1C(COC2=C1C3=C(C=C2)C4=CC=CC=C4N3)C5=CC=CC=C5O

DOS

IR

Vibrations