Geometry & MOs

Info

ID:	59692
PubChem CID:	24893855
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	275.01819
ΔH_f, kcal/mol:	-45.15
Dipole, Da:	4.75
IP(EA), eV:	-8.09(0.39)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[(E)-amino-(2-bromo-4-fluorophenyl)azaniumylidenemethyl]-(diaminomethylidene)azanium

Drug info:

PubChemData

Smile

CC[C@H]1[C@@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H](C2C5OC(=O)C)N3[C@@H]1O)C6=CC=CC=C6N4

DOS

IR

Vibrations