Geometry & MOs

Info

ID:	405129
PubChem CID:	135072658
Reduced:	NSO2C23H27 (1)
Stoich.:	ABC2D23E27 (1)
Weight, g/mol:	205.065827
ΔH_f, kcal/mol:	-11.11
Dipole, Da:	5.57
IP(EA), eV:	-9.05(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-ethynyl-5,6,7,8-tetrahydronaphthalen-1-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC/C=C/C2=CC=CC=C2)CC(=C)C(=C)C

DOS

IR

Vibrations