Geometry & MOs

Info

ID:	14816
PubChem CID:	421448
Reduced:	NPO3C10H17 (1)
Stoich.:	ABC3D10E17 (1)
Weight, g/mol:	230.094605
ΔH_f, kcal/mol:	-127.53
Dipole, Da:	7.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765826
Charge, e:	1

Chem-info

IUPAC name:

trimethyl-[phenyl(phosphono)methyl]azanium

Drug info:

PubChemData

Smile

C[N+](C)(C)C(C1=CC=CC=C1)P(=O)(O)O

DOS

IR

Vibrations