Geometry & MOs

Info

ID:	297487
PubChem CID:	117618868
Reduced:	ON4C31H37 (1)
Stoich.:	AB4C31D37 (1)
Weight, g/mol:	236.121258
ΔH_f, kcal/mol:	44.3
Dipole, Da:	1.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.926158
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(3-fluoro-2-methylphenyl)cyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)[N+]2=C(N(CC2)C3=C(C=C(C=C3C)/C(=C/N)/NCC4=CC=C(C=C4)C=C)C)O)C

DOS

IR

Vibrations