Geometry & MOs

Info

ID:	279810
PubChem CID:	103845241
Reduced:	ClNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	252.093249
ΔH_f, kcal/mol:	-61.48
Dipole, Da:	2.52
IP(EA), eV:	-8.78(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopenten-1-yl)-N-[(5-nitrothiophen-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)CNCCC2=CCCC2)Cl)OC

DOS

IR

Vibrations