Geometry & MOs

Info

ID:	271605
PubChem CID:	103685629
Reduced:	NSO2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	284.038627
ΔH_f, kcal/mol:	-89.18
Dipole, Da:	2.27
IP(EA), eV:	-8.66(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-2-nitrophenyl)methyl]-2-prop-2-ynylsulfanylethanamine

Drug info:

PubChemData

Smile

CSC1CCCCC1NCC2=C(C=C(C=C2)O)O

DOS

IR

Vibrations