Geometry & MOs

Info

ID:	240550
PubChem CID:	93581372
Reduced:	N3O3C25H29 (1)
Stoich.:	A3B3C25D29 (1)
Weight, g/mol:	419.220892
ΔH_f, kcal/mol:	-42.69
Dipole, Da:	6.68
IP(EA), eV:	-8.21(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2S)-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(CC2=CC=C(C=C2)N(C)C)C3=CC=CC=N3)O

DOS

IR

Vibrations