Geometry & MOs

Info

ID:	248414
PubChem CID:	103081437
Reduced:	F2N2O3C12H16 (1)
Stoich.:	A2B2C3D12E16 (1)
Weight, g/mol:	261.209264
ΔH_f, kcal/mol:	-214.22
Dipole, Da:	3.63
IP(EA), eV:	-9.17(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-tert-butylphenyl)methyl]-3-methoxycyclopentan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)NCCOCC(F)F)C(=O)OC

DOS

IR

Vibrations