Geometry & MOs

Info

ID:	217601
PubChem CID:	85088087
Reduced:	O4N7H15C17 (1)
Stoich.:	A4B7C15D17 (1)
Weight, g/mol:	381.130026
ΔH_f, kcal/mol:	127.36
Dipole, Da:	10.0
IP(EA), eV:	-9.2(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[7-[2,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-1,1,1-trifluorohept-3-yn-2-ylidene]hydroxylamine

Drug info:

PubChemData

Smile

CNN1C=CC(=NC1=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations