Geometry & MOs

Info

ID:	320340
PubChem CID:	126659575
Reduced:	ClF2N2O2H17C23 (1)
Stoich.:	AB2C2D2E17F23 (1)
Weight, g/mol:	391.178358
ΔH_f, kcal/mol:	-102.99
Dipole, Da:	5.47
IP(EA), eV:	-9.29(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[4-[4-[4-(1-hydroxyethyl)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=C2C=CN(C2=N1)CC3=CC(=C(C=C3)F)F)C4=CC=C(C=C4)Cl)CC(=O)O

DOS

IR

Vibrations