Geometry & MOs

Info

ID:	411064
PubChem CID:	135083874
Reduced:	BNO2F3H4C8 (1)
Stoich.:	ABC2D3E4F8 (1)
Weight, g/mol:	127.026943
ΔH_f, kcal/mol:	-138.55
Dipole, Da:	7.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.043539
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-cyano-2-hydroxybut-2-enoic acid

Drug info:

PubChemData

Smile

[B-](C#CC1=CC=C(C=C1)[N+](=O)[O-])(F)(F)F

DOS

IR

Vibrations