Geometry & MOs

Info

ID:	322883
PubChem CID:	126671528
Reduced:	N2O4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	303.183444
ΔH_f, kcal/mol:	-140.11
Dipole, Da:	3.59
IP(EA), eV:	-8.28(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)COCCCOCCCOC1=CN=C(C=C1)NC

DOS

IR

Vibrations