Geometry & MOs

Info

ID:	438456
PubChem CID:	135228197
Reduced:	SN2P2O8C14H22 (1)
Stoich.:	AB2C2D8E14F22 (1)
Weight, g/mol:	175.099714
ΔH_f, kcal/mol:	-414.63
Dipole, Da:	5.33
IP(EA), eV:	-8.67(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

CC(C)CSCOC1=CC2=C(C=C1)N(C=N2)CC(O)(P(=O)(O)O)P(=O)(O)O

DOS

IR

Vibrations