Geometry & MOs

Info

ID:	76300
PubChem CID:	48424753
Reduced:	SO2N3C17H27 (1)
Stoich.:	AB2C3D17E27 (1)
Weight, g/mol:	350.163043
ΔH_f, kcal/mol:	-51.54
Dipole, Da:	3.44
IP(EA), eV:	-8.67(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-cyanophenoxy)-2-methylphenyl]-2-(cyclopropylmethoxy)propanamide

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CN2CCN(CC2)C(=O)C(C)OCC3CC3

DOS

IR

Vibrations