Geometry & MOs

Info

ID:	424945
PubChem CID:	135124520
Reduced:	FN2O5H27C29 (1)
Stoich.:	AB2C5D27E29 (1)
Weight, g/mol:	353.137556
ΔH_f, kcal/mol:	-151.13
Dipole, Da:	7.07
IP(EA), eV:	-9.38(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[3-(hydroxymethyl)phenyl]-5-[(1R,2R)-2-(3-methyl-1,2-oxazol-5-yl)cyclopropyl]pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC#CC(CC(=O)O)C1=CN=C(C=C1)O[C@@H]2CCC3=C(C=CC(=C23)F)C4=CN=C(C=C4)O[C@@H]5CCOC5

DOS

IR

Vibrations