Geometry & MOs

Info

ID:	240439
PubChem CID:	93579313
Reduced:	NCl2O3C23H25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	419.257277
ΔH_f, kcal/mol:	-81.17
Dipole, Da:	1.35
IP(EA), eV:	-8.54(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[[4-(dimethylamino)phenyl]methyl-pyridin-2-ylamino]-3-(4-propan-2-ylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC[C@H](CN(CC2=C(C=C(C=C2)Cl)Cl)CC3=CC=CO3)O)C

DOS

IR

Vibrations