Geometry & MOs

Info

ID:	77375
PubChem CID:	48427120
Reduced:	ON2F3C16H23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	287.188529
ΔH_f, kcal/mol:	-202.33
Dipole, Da:	4.78
IP(EA), eV:	-9.1(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methylphenyl)methyl]-3-(2-methylpropoxy)-N-prop-2-ynylpropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations