Geometry & MOs

Info

ID:	197526
PubChem CID:	78974697
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	200.094963
ΔH_f, kcal/mol:	-37.34
Dipole, Da:	3.83
IP(EA), eV:	-9.23(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanophenyl)-N-methylbut-2-enamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC(=C1)C#N)C(=O)CCCOC

DOS

IR

Vibrations