Geometry & MOs

Info

ID:	279811
PubChem CID:	103845242
Reduced:	SN2O2C12H16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	259.193614
ΔH_f, kcal/mol:	23.59
Dipole, Da:	6.82
IP(EA), eV:	-9.39(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopenten-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

C1CC=C(C1)CCNCC2=CSC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations