Geometry & MOs

Info

ID:	217851
PubChem CID:	85088491
Reduced:	N2O2C11H11 (2)
Stoich.:	A2B2C11D11 (2)
Weight, g/mol:	407.17193
ΔH_f, kcal/mol:	-57.81
Dipole, Da:	2.85
IP(EA), eV:	-9.53(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[2-[2-(benzhydrylamino)-2-oxoethoxy]carbonylpyrrolidin-1-yl]-2-hydroxyethenediazonium

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=C[N+]#N)[O-])C(=O)OCC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations