Geometry & MOs

Info

ID:	382534
PubChem CID:	134973756
Reduced:	N5O5C11H13 (1)
Stoich.:	A5B5C11D13 (1)
Weight, g/mol:	404.298481
ΔH_f, kcal/mol:	-91.01
Dipole, Da:	4.34
IP(EA), eV:	-9.35(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-[(E)-11-[tert-butyl(dimethyl)silyl]undec-9-enoxy]carbonylphenyl]azanium

Drug info:

PubChemData

Smile

C1[C@H]([C@H](O[C@H]1N2C=C(C3=C(N=CN=C32)N)[N+](=O)[O-])CO)O

DOS

IR

Vibrations