Geometry & MOs

Info

ID:	413106
PubChem CID:	135086050
Reduced:	NSO4C21H31 (1)
Stoich.:	ABC4D21E31 (1)
Weight, g/mol:	221.097127
ΔH_f, kcal/mol:	-163.85
Dipole, Da:	5.85
IP(EA), eV:	-10.05(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-hex-1-ynyl-N-methylaniline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OC(CCCCCCCCC=C)C=C

DOS

IR

Vibrations