Geometry & MOs

Info

ID:	271795
PubChem CID:	103692368
Reduced:	FON2H11C15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	-13.66
Dipole, Da:	5.44
IP(EA), eV:	-9.58(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyano-3-methylphenyl)-2-methoxypropanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C2=CC=C(C=C2)F)C#N

DOS

IR

Vibrations