Geometry & MOs

Info

ID:	89760
PubChem CID:	49964408
Reduced:	O6N7H17C19 (1)
Stoich.:	A6B7C17D19 (1)
Weight, g/mol:	472.08585
ΔH_f, kcal/mol:	30.99
Dipole, Da:	4.77
IP(EA), eV:	-9.22(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N'-[(E)-[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2=C(C=C(C=C2)/C=N/N=C(\C3=NON=C3N)/N)OC

DOS

IR

Vibrations