Geometry & MOs

Info

ID:	382911
PubChem CID:	134974348
Reduced:	NO6C20H21 (1)
Stoich.:	AB6C20D21 (1)
Weight, g/mol:	313.131408
ΔH_f, kcal/mol:	-135.21
Dipole, Da:	5.16
IP(EA), eV:	-8.66(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-4,5-dimethoxyphenyl]phenol

Drug info:

PubChemData

Smile

CC(=O)OCCN1C(=O)CC2=CC(=C(C=C2C13C=CC(=O)C=C3)OC)OC

DOS

IR

Vibrations