Geometry & MOs

Info

ID:	209704
PubChem CID:	80706396
Reduced:	NF2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	325.10413
ΔH_f, kcal/mol:	-179.47
Dipole, Da:	2.39
IP(EA), eV:	-8.63(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine

Drug info:

PubChemData

Smile

CC1(CCC(C1)NC2=C(C=C(C(=C2)C(=O)OC)F)F)C

DOS

IR

Vibrations