Geometry & MOs

Info

ID:	240549
PubChem CID:	93581365
Reduced:	NO5C24H31 (1)
Stoich.:	AB5C24D31 (1)
Weight, g/mol:	419.220892
ΔH_f, kcal/mol:	-174.02
Dipole, Da:	3.14
IP(EA), eV:	-8.62(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2R)-3-[[4-(dimethylamino)phenyl]methyl-pyridin-2-ylamino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1OC[C@H](CN(C[C@@H]2CCCO2)CC3=CC=C(C=C3)OC)O

DOS

IR

Vibrations