Geometry & MOs

Info

ID:	279851
PubChem CID:	103845334
Reduced:	ClN2O2C14H17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	324.04734
ΔH_f, kcal/mol:	9.44
Dipole, Da:	5.42
IP(EA), eV:	-9.36(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-3-nitrophenyl)methyl]-2-(cyclopenten-1-yl)ethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations