Geometry & MOs

Info

ID:	438501
PubChem CID:	135228243
Reduced:	N4O5C21H22 (1)
Stoich.:	A4B5C21D22 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-83.71
Dipole, Da:	11.37
IP(EA), eV:	-8.88(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(4-methoxyphenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C/C(=C(/C(=C)C)\C(=O)O)/N(C3=C(N2N=N1)C=C(C=C3)OC)C=C

DOS

IR

Vibrations