Geometry & MOs

Info

ID:	425029
PubChem CID:	135124910
Reduced:	OF2N5C27H29 (1)
Stoich.:	AB2C5D27E29 (1)
Weight, g/mol:	320.102414
ΔH_f, kcal/mol:	-49.21
Dipole, Da:	4.35
IP(EA), eV:	-8.37(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl] benzoate

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C2=CC3=C(C(=C2)NC4CCN(CC4)C)NC(=O)C35CCC5)C6=C(C=C(C=C6)F)F

DOS

IR

Vibrations