Geometry & MOs

Info

ID:	448425
PubChem CID:	135290798
Reduced:	IF4N5O5C31H38 (1)
Stoich.:	AB4C5D5E31F38 (1)
Weight, g/mol:	278.086684
ΔH_f, kcal/mol:	-352.05
Dipole, Da:	5.87
IP(EA), eV:	-9.19(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-4-[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]benzaldehyde

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)I)C(CN(CC2=C(C=C(C=C2F)C3=NN(C=C3)C(F)F)F)NC(=O)OC(C)(C)C)O

DOS

IR

Vibrations