Geometry & MOs

Info

ID:	159413
PubChem CID:	57280040
Reduced:	NOC4H4 (2)
Stoich.:	ABC4D4 (2)
Weight, g/mol:	422.200571
ΔH_f, kcal/mol:	-16.4
Dipole, Da:	2.59
IP(EA), eV:	-9.38(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[4-fluoro-3-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]cyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=C(C=C1)N=N

DOS

IR

Vibrations