Geometry & MOs

Info

ID:	248631
PubChem CID:	103083200
Reduced:	BrON3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	319.00687
ΔH_f, kcal/mol:	59.26
Dipole, Da:	5.3
IP(EA), eV:	-8.74(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[3-(4-bromo-2-methylphenyl)-2H-1,2,4-oxadiazol-5-ylidene]pyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C2=NC(=NO2)C3=C(C=C(C=C3)Br)C)N

DOS

IR

Vibrations