Geometry & MOs

Info

ID:	240357
PubChem CID:	93577969
Reduced:	NO3C23H27 (1)
Stoich.:	AB3C23D27 (1)
Weight, g/mol:	384.241293
ΔH_f, kcal/mol:	-58.45
Dipole, Da:	2.38
IP(EA), eV:	-8.84(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN(CC2=CC=CO2)C[C@@H](COC3=CC=CC=C3)O

DOS

IR

Vibrations