Geometry & MOs

Info

ID:	322829
PubChem CID:	126671281
Reduced:	NO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	296.155849
ΔH_f, kcal/mol:	-50.64
Dipole, Da:	3.74
IP(EA), eV:	-8.94(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[4-(1-sulfanylpropan-2-ylamino)butoxy]pyridin-2-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(=O)CC1=CC2=C(C=C1)C=C(O2)CCNC

DOS

IR

Vibrations