Geometry & MOs

Info

ID:	240355
PubChem CID:	93577963
Reduced:	NSO5C19H25 (1)
Stoich.:	ABC5D19E25 (1)
Weight, g/mol:	431.230788
ΔH_f, kcal/mol:	-165.96
Dipole, Da:	8.08
IP(EA), eV:	-8.74(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[[(2R)-oxolan-2-yl]methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]-3-phenoxypropan-2-ol

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN(C[C@@H](COC2=CC=CC=C2)O)[C@@H]3CCS(=O)(=O)C3

DOS

IR

Vibrations