Geometry & MOs

Info

ID:	438389
PubChem CID:	135228125
Reduced:	N5O5C24H33 (1)
Stoich.:	A5B5C24D33 (1)
Weight, g/mol:	362.07966
ΔH_f, kcal/mol:	-192.45
Dipole, Da:	6.76
IP(EA), eV:	-8.6(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(4-hept-1-ynylpyridin-2-yl)amino]-phosphonomethyl]phosphonic acid

Drug info:

PubChemData

Smile

CCOCC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2NC(=O)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations