Geometry & MOs

Info

ID:	409016
PubChem CID:	135081790
Reduced:	ClO9C21H25 (1)
Stoich.:	AB9C21D25 (1)
Weight, g/mol:	137.014284
ΔH_f, kcal/mol:	-373.83
Dipole, Da:	7.73
IP(EA), eV:	-10.38(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,4,2]diazaphospholo[4,5-c]pyrimidine

Drug info:

PubChemData

Smile

C/C(=C\COC(=O)C)/C(=O)O[C@H]1CC(=C)[C@@H]2C[C@@H]([C@@]([C@@H]2[C@@H]3[C@@H]1C(=O)C(=O)O3)(CCl)O)O

DOS

IR

Vibrations