Geometry & MOs

Info

ID:	268094
PubChem CID:	103597807
Reduced:	NO4C17H21 (1)
Stoich.:	AB4C17D21 (1)
Weight, g/mol:	349.142641
ΔH_f, kcal/mol:	-102.2
Dipole, Da:	3.56
IP(EA), eV:	-8.54(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(cyanomethoxy)phenyl]-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN(C1CC1)C(=O)C=CC2=CC3=C(C(=C2)OC)OCCO3

DOS

IR

Vibrations