Geometry & MOs

Info

ID:	271924
PubChem CID:	103700837
Reduced:	ON4C15H22 (1)
Stoich.:	AB4C15D22 (1)
Weight, g/mol:	325.117021
ΔH_f, kcal/mol:	20.97
Dipole, Da:	3.84
IP(EA), eV:	-9.12(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-N-[(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]cyclopentan-1-amine

Drug info:

PubChemData

Smile

CC(C)C(CCO)NCC1=NN(N=C1)C2=CC=CC=C2

DOS

IR

Vibrations