Geometry & MOs

Info

ID:	132659
PubChem CID:	51394719
Reduced:	PN2O3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	432.182746
ΔH_f, kcal/mol:	-110.27
Dipole, Da:	6.34
IP(EA), eV:	-8.35(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-1-(2,3-dimethylanilino)-2,7-dimethyl-1-oxo-3-phenylpyrazolo[4,3-c][1,5,2]diazaphosphinin-5-yl]propanenitrile

Drug info:

PubChemData

Smile

CC1=CC=C(O1)[P@@](=O)(/C=C\2/C(C3=CC=CC=C3N2C)(C)C)N4CCOCC4

DOS

IR

Vibrations