Geometry & MOs

Info

ID:	271616
PubChem CID:	103685898
Reduced:	NOSC14H19 (1)
Stoich.:	ABCD14E19 (1)
Weight, g/mol:	392.92206
ΔH_f, kcal/mol:	17.87
Dipole, Da:	2.66
IP(EA), eV:	-8.7(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-prop-2-ynylsulfanylethanamine

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CNCCSCC#C

DOS

IR

Vibrations