Geometry & MOs

Info

ID:	85874
PubChem CID:	49879823
Reduced:	ClN2O2H17C18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	396.05455
ΔH_f, kcal/mol:	-26.94
Dipole, Da:	2.55
IP(EA), eV:	-8.2(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N'-[(3-bromo-4,5-diethoxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)OC)C=C1C(=O)NCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations