Geometry & MOs

Info

ID:	240381
PubChem CID:	93578067
Reduced:	NSO5C24H33 (1)
Stoich.:	ABC5D24E33 (1)
Weight, g/mol:	394.225643
ΔH_f, kcal/mol:	-183.82
Dipole, Da:	5.89
IP(EA), eV:	-8.72(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[[4-(dimethylamino)phenyl]methyl-(furan-2-ylmethyl)amino]-3-(4-methylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)CN(C[C@H](COC2=CC=C(C=C2)C)O)[C@@H]3CCS(=O)(=O)C3

DOS

IR

Vibrations