Geometry & MOs

Info

ID:	62194
PubChem CID:	26717963
Reduced:	NO7H17C21 (1)
Stoich.:	AB7C17D21 (1)
Weight, g/mol:	334.168128
ΔH_f, kcal/mol:	-183.19
Dipole, Da:	2.62
IP(EA), eV:	-9.54(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-(cyanomethoxy)phenyl]-N-[(2R)-2-phenylbutyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)OC(=O)/C=C/C2=CC=C(C=C2)OCC#N)C(=O)OC

DOS

IR

Vibrations