Geometry & MOs

Info

ID:	171789
PubChem CID:	75428169
Reduced:	FON2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-39.42
Dipole, Da:	3.3
IP(EA), eV:	-8.64(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-3-(2-pyridin-3-yloxyethylamino)butanamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CN=C1)F)NCCC2=CC3=C(C=C2)OCC3

DOS

IR

Vibrations