Geometry & MOs

Info

ID:	248415
PubChem CID:	103081446
Reduced:	NOC17H27 (1)
Stoich.:	ABC17D27 (1)
Weight, g/mol:	343.07831
ΔH_f, kcal/mol:	-53.51
Dipole, Da:	1.39
IP(EA), eV:	-8.94(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CNC2CCC(C2)OC

DOS

IR

Vibrations