Geometry & MOs

Info

ID:	322884
PubChem CID:	126671529
Reduced:	NO3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	303.183444
ΔH_f, kcal/mol:	-72.34
Dipole, Da:	1.51
IP(EA), eV:	-8.97(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-[4-[(1S)-1-(methylamino)ethyl]phenyl]prop-2-ynoxy]propoxy]propan-2-one

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)C#CCOCCCOCC(=O)C)NC

DOS

IR

Vibrations