Geometry & MOs

Info

ID:	29499
PubChem CID:	834464
Reduced:	ClON4H17C18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	349.144471
ΔH_f, kcal/mol:	46.01
Dipole, Da:	7.25
IP(EA), eV:	-9.82(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylpropan-1-ol

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)N3C=NN=C3)Cl

DOS

IR

Vibrations