Geometry & MOs

Info

ID:	435629
PubChem CID:	135191972
Reduced:	ClON2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	421.142953
ΔH_f, kcal/mol:	-43.33
Dipole, Da:	2.69
IP(EA), eV:	-9.26(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-methyl-N-(5-methyl-4-oxo-2H-1,5,3-benzoxazaphosphepin-3-ium-3-ylidene)-1-[(2-methylphenyl)methyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(CCC1=C(C=C(C=C1)Cl)NC=O)N

DOS

IR

Vibrations