Geometry & MOs

Info

ID:	426408
PubChem CID:	135143925
Reduced:	N2O7C28H34 (1)
Stoich.:	A2B7C28D34 (1)
Weight, g/mol:	413.183838
ΔH_f, kcal/mol:	-244.34
Dipole, Da:	3.75
IP(EA), eV:	-8.86(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2R)-2-hydroxy-3-(methylamino)propoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC[C@@H](CN2CCN(CC2)C(=O)C)O)C)C3=CC(=O)C4=C(O3)C=C(C=C4OC)OC

DOS

IR

Vibrations