Geometry & MOs

Info

ID:	445916
PubChem CID:	135269929
Reduced:	FON5H20C21 (1)
Stoich.:	ABC5D20E21 (1)
Weight, g/mol:	424.168145
ΔH_f, kcal/mol:	62.59
Dipole, Da:	2.64
IP(EA), eV:	-8.74(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[[(Z)-2-amino-2-(methylideneamino)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethenyl]-methylamino]ethyl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=CC1)C2=CN=C(C(=N2)CO/C(=N\N=C)/C3=CC=CC=C3)N)F

DOS

IR

Vibrations