Geometry & MOs

Info

ID:	240505
PubChem CID:	93581134
Reduced:	NO5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	426.251858
ΔH_f, kcal/mol:	-129.0
Dipole, Da:	3.16
IP(EA), eV:	-9.04(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(2S)-3-[[4-(dimethylamino)phenyl]methyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN(CC2=CC=CO2)C[C@@H](COC3=CC=CC(=C3)C(=O)C)O

DOS

IR

Vibrations