Geometry & MOs

Info

ID:	240436
PubChem CID:	93579259
Reduced:	NO3C23H27 (1)
Stoich.:	AB3C23D27 (1)
Weight, g/mol:	421.261694
ΔH_f, kcal/mol:	-61.25
Dipole, Da:	1.58
IP(EA), eV:	-8.41(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(4-tert-butylphenyl)methyl-(furan-2-ylmethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC[C@H](CN(CC2=CC=CC=C2)CC3=CC=CO3)O)C

DOS

IR

Vibrations