Geometry & MOs

Info

ID:	22566
PubChem CID:	597744
Reduced:	ON2C3H4 (3)
Stoich.:	AB2C3D4 (3)
Weight, g/mol:	252.097088
ΔH_f, kcal/mol:	8.29
Dipole, Da:	8.46
IP(EA), eV:	-8.79(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(diaminomethylidene)-2-(2-methoxy-5-nitrophenyl)guanidine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[N+](=O)[O-])N=C(N)N=C(N)N

DOS

IR

Vibrations