Geometry & MOs

Info

ID:	266426
PubChem CID:	103565930
Reduced:	BrNOC13H16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	294.157957
ΔH_f, kcal/mol:	-26.93
Dipole, Da:	2.24
IP(EA), eV:	-8.92(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(oxan-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1CC2(C1)C[C@H](C3=C(O2)C=CC(=C3)Br)N

DOS

IR

Vibrations