Geometry & MOs

Info

ID:	252853
PubChem CID:	103114586
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	322.054277
ΔH_f, kcal/mol:	-8.43
Dipole, Da:	5.93
IP(EA), eV:	-9.32(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(2-methyl-3-nitrophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC2CCCCC2CN

DOS

IR

Vibrations