Geometry & MOs

Info

ID:	165964
PubChem CID:	74620000
Reduced:	O3N5C12H17 (1)
Stoich.:	A3B5C12D17 (1)
Weight, g/mol:	421.200156
ΔH_f, kcal/mol:	-94.89
Dipole, Da:	3.23
IP(EA), eV:	-9.6(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide

Drug info:

PubChemData

Smile

CN1C(=O)CCN(C1=O)CC(=O)NCC2=CC=NN2C

DOS

IR

Vibrations