Geometry & MOs

Info

ID:	238816
PubChem CID:	93165551
Reduced:	N2O3C17H28 (1)
Stoich.:	A2B3C17D28 (1)
Weight, g/mol:	309.168856
ΔH_f, kcal/mol:	-117.75
Dipole, Da:	4.94
IP(EA), eV:	-8.29(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R)-2-amino-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-methoxy-6-nitrophenol

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)OC)[C@@H](CN)N2C[C@H](O[C@@H](C2)C)C

DOS

IR

Vibrations