Geometry & MOs

Info

ID:	397576
PubChem CID:	135030413
Reduced:	O5C15H16 (1)
Stoich.:	A5B15C16 (1)
Weight, g/mol:	352.142307
ΔH_f, kcal/mol:	-198.69
Dipole, Da:	6.48
IP(EA), eV:	-8.31(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-nitro-1-phenylethyl)-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

CC1C(C2=C(C3=C(C(=C(C=C3C=C2O1)O)O)O)O)(C)C

DOS

IR

Vibrations