Geometry & MOs

Info

ID:	293413
PubChem CID:	117388037
Reduced:	ClNSC13H16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	253.069198
ΔH_f, kcal/mol:	45.03
Dipole, Da:	2.95
IP(EA), eV:	-8.76(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-chloro-4-(thiolan-3-yl)phenyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

C1CC1SC2=C(C=C(C=C2)CC3(CC3)N)Cl

DOS

IR

Vibrations