Geometry & MOs

Info

ID:	397696
PubChem CID:	135030587
Reduced:	OC10H10 (2)
Stoich.:	AB10C10 (2)
Weight, g/mol:	376.215078
ΔH_f, kcal/mol:	-9.55
Dipole, Da:	3.0
IP(EA), eV:	-9.44(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[3-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenyl]methylamino]-2-phenylethanol

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)C#CCCCC2=CC=CC=C2

DOS

IR

Vibrations