Geometry & MOs

Info

ID:	328965
PubChem CID:	126729670
Reduced:	F3N3C15H16 (1)
Stoich.:	A3B3C15D16 (1)
Weight, g/mol:	157.073893
ΔH_f, kcal/mol:	-93.93
Dipole, Da:	4.16
IP(EA), eV:	-9.55(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydroxy-2-(propan-2-ylamino)cyclobut-2-en-1-one

Drug info:

PubChemData

Smile

CCCC/C=C/C1=CC(=NC=C1)C2=NNC(=C2)C(F)(F)F

DOS

IR

Vibrations