Geometry & MOs

Info

ID:	125270
PubChem CID:	50917888
Reduced:	NOF2H11C16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	215.131014
ΔH_f, kcal/mol:	-80.26
Dipole, Da:	8.05
IP(EA), eV:	-8.96(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-3-(4-methylphenyl)prop-2-ynamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)C2=C(N1)C=CC(=C2)F)C3=CC=C(C=C3)F

DOS

IR

Vibrations