Geometry & MOs

Info

ID:	279809
PubChem CID:	103845239
Reduced:	NOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	295.133907
ΔH_f, kcal/mol:	-24.66
Dipole, Da:	0.5
IP(EA), eV:	-8.43(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(cyclopenten-1-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CNCCC2=CCCC2)OC

DOS

IR

Vibrations