Geometry & MOs

Info

ID:	186378
PubChem CID:	77425945
Reduced:	O2N3H27C28 (1)
Stoich.:	A2B3C27D28 (1)
Weight, g/mol:	383.166748
ΔH_f, kcal/mol:	44.74
Dipole, Da:	2.31
IP(EA), eV:	-8.97(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[2-(4-methylthiophen-2-yl)-1,3-benzoxazol-6-yl]-2-propylpent-4-enehydrazide

Drug info:

PubChemData

Smile

CCC(CC(=O)NN)C(=C)C1=CC2=C(C=C1)N=C(O2)C3=CC=C(C=C3)C=CC4=CC=CC=C4

DOS

IR

Vibrations