Geometry & MOs

Info

ID:	30123
PubChem CID:	840156
Reduced:	NO3C11H21 (1)
Stoich.:	AB3C11D21 (1)
Weight, g/mol:	201.078979
ΔH_f, kcal/mol:	-157.07
Dipole, Da:	2.97
IP(EA), eV:	-8.99(1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenol

Drug info:

PubChemData

Smile

C1CC[C@]([C@@H](C1)O)(CN2CCOCC2)O

DOS

IR

Vibrations