Geometry & MOs

Info

ID:	240414
PubChem CID:	93578304
Reduced:	NO4C20H27 (1)
Stoich.:	AB4C20D27 (1)
Weight, g/mol:	345.194008
ΔH_f, kcal/mol:	-130.47
Dipole, Da:	2.48
IP(EA), eV:	-8.84(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-(3-methylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC[C@@H](CN(C[C@@H]2CCCO2)CC3=CC=CO3)O

DOS

IR

Vibrations