Geometry & MOs

Info

ID:	276571
PubChem CID:	103824337
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	352.07864
ΔH_f, kcal/mol:	-11.4
Dipole, Da:	3.87
IP(EA), eV:	-8.8(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-2-prop-2-ynoxyphenyl)methylamino]-N,2,2-trimethylpropanamide

Drug info:

PubChemData

Smile

CC(C)(CNCC1=CC=CC=C1OCC#C)C(=O)NC

DOS

IR

Vibrations