Geometry & MOs

Info

ID:	158862
PubChem CID:	57244105
Reduced:	NO3C8H11 (1)
Stoich.:	AB3C8D11 (1)
Weight, g/mol:	382.066734
ΔH_f, kcal/mol:	-123.11
Dipole, Da:	3.67
IP(EA), eV:	-10.59(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2,4-dicarboxybutyl-dihydroxy-[[3-(trifluoromethyl)phenyl]iminomethyl]phosphanium

Drug info:

PubChemData

Smile

CCC1=C(C(=O)N(C1=O)CO)C

DOS

IR

Vibrations