Geometry & MOs

Info

ID:	247015
PubChem CID:	103066463
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	289.240565
ΔH_f, kcal/mol:	-74.65
Dipole, Da:	4.11
IP(EA), eV:	-8.73(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-ditert-butylphenoxy)methyl]-N-methylprop-2-en-1-amine

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)OC)OCC(=C)CN

DOS

IR

Vibrations