Geometry & MOs

Info

ID:	248412
PubChem CID:	103081435
Reduced:	NO2C17H21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	284.09277
ΔH_f, kcal/mol:	-60.74
Dipole, Da:	2.61
IP(EA), eV:	-8.38(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-5-nitrophenyl)methyl]-3-methoxycyclopentan-1-amine

Drug info:

PubChemData

Smile

COC1CCC(C1)NCC2=C(C=CC3=CC=CC=C32)O

DOS

IR

Vibrations