Geometry & MOs

Info

ID:	310216
PubChem CID:	126576845
Reduced:	NOC8H14 (2)
Stoich.:	ABC8D14 (2)
Weight, g/mol:	423.220972
ΔH_f, kcal/mol:	-129.15
Dipole, Da:	3.12
IP(EA), eV:	-9.75(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-[(1S)-1-cyclopropylethyl]phenoxy]methyl]-5-(2-fluoro-5-methoxyphenyl)-4-(2-methylpropyl)-1,2-oxazole

Drug info:

PubChemData

Smile

CC1(C[C@H]2CC(C[C@H]2C1)C=NC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations