Geometry & MOs

Info

ID:	238864
PubChem CID:	93165628
Reduced:	ClN2O2C16H25 (1)
Stoich.:	AB2C2D16E25 (1)
Weight, g/mol:	312.160456
ΔH_f, kcal/mol:	-86.86
Dipole, Da:	2.3
IP(EA), eV:	-8.59(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S)-2-amino-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-chloro-6-ethoxyphenol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations