Geometry & MOs

Info

ID:	124560
PubChem CID:	50887320
Reduced:	N2O5H22C24 (1)
Stoich.:	A2B5C22D24 (1)
Weight, g/mol:	363.183444
ΔH_f, kcal/mol:	-109.71
Dipole, Da:	8.33
IP(EA), eV:	-9.43(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one

Drug info:

PubChemData

Smile

CC\1=C(C(=O)N(C(=O)/C1=C/C2=CC=C(O2)C3=CC(=CC=C3)C(=O)OC)CC(C)C)C#N

DOS

IR

Vibrations