Geometry & MOs

Info

ID:	299793
PubChem CID:	117695583
Reduced:	F2O2C4P4N5H16 (1)
Stoich.:	A2B2C4D4E5F16 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-297.32
Dipole, Da:	9.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758450
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(3H-benzimidazol-5-ylmethylamino)acetate

Drug info:

PubChemData

Smile

COP(=NP(=NP(=N)(C)C)(OC)F)(N=PN)F

DOS

IR

Vibrations