Geometry & MOs

Info

ID:	205970
PubChem CID:	80185223
Reduced:	OF2N2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	226.168128
ΔH_f, kcal/mol:	-105.99
Dipole, Da:	1.56
IP(EA), eV:	-9.92(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanopropyl)-N-ethyl-4-methoxy-3-methylbutanamide

Drug info:

PubChemData

Smile

CCN(CC(C)C#N)C(=O)CC1=C(C=C(C=C1)F)F

DOS

IR

Vibrations