Geometry & MOs

Info

ID:	1481
PubChem CID:	4577
Reduced:	N2P2C8O9H12 (1)
Stoich.:	A2B2C8D9E12 (1)
Weight, g/mol:	342.001804
ΔH_f, kcal/mol:	-428.35
Dipole, Da:	3.6
IP(EA), eV:	-9.14(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-nitroanilino)ethyl phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NCCOP(=O)(O)OP(=O)(O)O)[N+](=O)[O-]

DOS

IR

Vibrations