Geometry & MOs

Info

ID:	281115
PubChem CID:	103905853
Reduced:	ClNOSC14H18 (1)
Stoich.:	ABCDE14F18 (1)
Weight, g/mol:	291.165686
ΔH_f, kcal/mol:	-1.84
Dipole, Da:	3.73
IP(EA), eV:	-9.09(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]oxolan-3-amine

Drug info:

PubChemData

Smile

C1CC1C2C(CCO2)NC3CCC4=C3C=C(S4)Cl

DOS

IR

Vibrations