Geometry & MOs

Info

ID:	199154
PubChem CID:	79206918
Reduced:	ClNS2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	222.209599
ΔH_f, kcal/mol:	53.66
Dipole, Da:	1.23
IP(EA), eV:	-8.9(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[cyclopropyl(3-methylbutyl)amino]methyl]cyclopent-2-en-1-amine

Drug info:

PubChemData

Smile

CSC1=CC=CC=C1C(CC2=NC3=CC=CC=C3S2)Cl

DOS

IR

Vibrations