Geometry & MOs

Info

ID:	279852
PubChem CID:	103845335
Reduced:	BrN2O2C14H17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	20.16
Dipole, Da:	6.89
IP(EA), eV:	-9.4(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations