Geometry & MOs

Info

ID:	240406
PubChem CID:	93578234
Reduced:	NO6C25H35 (1)
Stoich.:	AB6C25D35 (1)
Weight, g/mol:	355.178358
ΔH_f, kcal/mol:	-210.01
Dipole, Da:	3.42
IP(EA), eV:	-8.62(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[furan-2-ylmethyl-[(5-methylfuran-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(=C(C(=C3)OC)OC)OC)O

DOS

IR

Vibrations