Geometry & MOs

Info

ID:	240437
PubChem CID:	93579288
Reduced:	NO3C27H35 (1)
Stoich.:	AB3C27D35 (1)
Weight, g/mol:	379.214744
ΔH_f, kcal/mol:	-84.13
Dipole, Da:	2.5
IP(EA), eV:	-8.85(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(2,4-dimethylphenoxy)-3-[furan-2-ylmethyl-[(4-methylphenyl)methyl]amino]propan-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations