Geometry & MOs

Info

ID:	82855
PubChem CID:	49856684
Reduced:	O2N3H25C27 (1)
Stoich.:	A2B3C25D27 (1)
Weight, g/mol:	206.094294
ΔH_f, kcal/mol:	53.41
Dipole, Da:	1.76
IP(EA), eV:	-8.67(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-hydroxy-2-methylbut-3-enyl] benzoate

Drug info:

PubChemData

Smile

CC1=CC(=NN1C(=O)C2=C(ON([C@@H]2C3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5)C)C

DOS

IR

Vibrations