Geometry & MOs

Info

ID:	271997
PubChem CID:	103709393
Reduced:	BrClON2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	275.170771
ΔH_f, kcal/mol:	-24.91
Dipole, Da:	4.92
IP(EA), eV:	-9.15(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethylsulfanylcyclopentyl)-1,2,3,4-tetrahydronaphthalen-1-amine

Drug info:

PubChemData

Smile

CC1CN(CC1N(C)C)C(=O)C2=C(C=CC(=C2)Cl)Br

DOS

IR

Vibrations