Geometry & MOs

Info

ID:	440282
PubChem CID:	135230229
Reduced:	N3O4C36H45 (1)
Stoich.:	A3B4C36D45 (1)
Weight, g/mol:	277.085127
ΔH_f, kcal/mol:	-116.13
Dipole, Da:	9.0
IP(EA), eV:	-8.31(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(hydroxymethyl)-3-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CCCCC(C)(CC)OCC(COC1=CC(=O)C(=C2N=C(NC(=N2)C3=C(C=C(C=C3)C)C)C4=C(C=C(C=C4)C)C)C=C1)O

DOS

IR

Vibrations