Geometry & MOs

Info

ID:	436232
PubChem CID:	135195563
Reduced:	N3C11H17 (1)
Stoich.:	A3B11C17 (1)
Weight, g/mol:	264.152558
ΔH_f, kcal/mol:	34.99
Dipole, Da:	1.81
IP(EA), eV:	-8.74(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(1R,2R)-2-ethylcyclohexyl]-2-fluorobenzoate

Drug info:

PubChemData

Smile

CC1=CC2C(N=C1C)N(C=N2)C(C)C

DOS

IR

Vibrations