Geometry & MOs

Info

ID:	279521
PubChem CID:	103844219
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	301.094806
ΔH_f, kcal/mol:	10.03
Dipole, Da:	8.18
IP(EA), eV:	-9.34(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopenten-1-yl)ethyl]-4-(difluoromethylsulfonyl)aniline

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1[N+](=O)[O-])NCCC2=CCCC2

DOS

IR

Vibrations