Geometry & MOs

Info

ID:	20368
PubChem CID:	583378
Reduced:	PN3O4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	349.119143
ΔH_f, kcal/mol:	-165.22
Dipole, Da:	5.18
IP(EA), eV:	-8.99(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-9,9-dimethyl-3-(4-methylphenyl)-7,11-dioxa-1,3,4-triaza-6lambda5-phosphaspiro[5.5]undeca-1(6),4-dien-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)N=P3(C(=N2)C(=O)C)OCC(CO3)(C)C

DOS

IR

Vibrations