Geometry & MOs

Info

ID:	201757
PubChem CID:	79576991
Reduced:	ON2C18H26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	240.140868
ΔH_f, kcal/mol:	-35.41
Dipole, Da:	4.4
IP(EA), eV:	-8.07(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)CCC3CCCC3=O

DOS

IR

Vibrations