Geometry & MOs

Info

ID:	240438
PubChem CID:	93579296
Reduced:	NO3C24H29 (1)
Stoich.:	AB3C24D29 (1)
Weight, g/mol:	433.121149
ΔH_f, kcal/mol:	-69.79
Dipole, Da:	2.39
IP(EA), eV:	-8.43(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(CC2=CC=CO2)C[C@@H](COC3=C(C=C(C=C3)C)C)O

DOS

IR

Vibrations