Geometry & MOs

Info

ID:	269379
PubChem CID:	103617216
Reduced:	ClNSO2C15H18 (1)
Stoich.:	ABCD2E15F18 (1)
Weight, g/mol:	257.100499
ΔH_f, kcal/mol:	-44.36
Dipole, Da:	3.69
IP(EA), eV:	-8.51(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)CNCCC2=CC=C(S2)Cl)O

DOS

IR

Vibrations