Geometry & MOs

Info

ID:	375228
PubChem CID:	131480965
Reduced:	NOSH4C5 (2)
Stoich.:	ABCD4E5 (2)
Weight, g/mol:	241.042505
ΔH_f, kcal/mol:	47.18
Dipole, Da:	4.56
IP(EA), eV:	-8.71(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[(2,6-dichlorophenyl)methylidene]cyclopentan-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N)SC2=C(SC=C2)[N+](=O)[O-]

DOS

IR

Vibrations