Geometry & MOs

Info

ID:	293787
PubChem CID:	117401906
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-24.72
Dipole, Da:	4.54
IP(EA), eV:	-9.22(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[5-(aminomethyl)-1,2,4-oxadiazol-3-ylidene]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-one

Drug info:

PubChemData

Smile

CC1=NN(N=C1)C2=CC=CC(=C2)C(C)(C)CC(=O)O

DOS

IR

Vibrations