Geometry & MOs

Info

ID:	276570
PubChem CID:	103824336
Reduced:	BrFON2C13H18 (1)
Stoich.:	ABCD2E13F18 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-78.97
Dipole, Da:	3.81
IP(EA), eV:	-9.29(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2,2-trimethyl-3-[(2-prop-2-ynoxyphenyl)methylamino]propanamide

Drug info:

PubChemData

Smile

CC(C)(CNCC1=CC(=C(C=C1)F)Br)C(=O)NC

DOS

IR

Vibrations