Geometry & MOs

Info

ID:	147496
PubChem CID:	53787152
Reduced:	FN2C25H25 (1)
Stoich.:	AB2C25D25 (1)
Weight, g/mol:	359.124126
ΔH_f, kcal/mol:	45.51
Dipole, Da:	3.29
IP(EA), eV:	-9.01(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[1-(3,4-dichlorophenyl)cyclopentyl]ethylsulfanyl]-N,N-dimethylpropan-1-amine

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C2=C(C=C(C=C2)C=NN=CC3=CC=C(C=C3)CC)F

DOS

IR

Vibrations