Geometry & MOs

Info

ID:	231740
PubChem CID:	87574545
Reduced:	BNF3O3H9C12 (1)
Stoich.:	ABC3D3E9F12 (1)
Weight, g/mol:	132.042259
ΔH_f, kcal/mol:	-306.02
Dipole, Da:	6.21
IP(EA), eV:	-9.38(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(dihydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

B(C1=C(C=CC2=CC=CC=C12)NC(=O)C(F)(F)F)(O)O

DOS

IR

Vibrations