Geometry & MOs

Info

ID:	14342
PubChem CID:	409854
Reduced:	O2N6C14H15 (1)
Stoich.:	A2B6C14D15 (1)
Weight, g/mol:	299.125649
ΔH_f, kcal/mol:	97.4
Dipole, Da:	7.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.957110
Charge, e:	1

Chem-info

IUPAC name:

2-[[1-(4-nitrophenyl)-2-pyridin-1-ium-1-ylethylidene]amino]guanidine

Drug info:

PubChemData

Smile

C1=CC=[N+](C=C1)CC(=NN=C(N)N)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations