Geometry & MOs

Info

ID:	124849
PubChem CID:	50899237
Reduced:	Cl2N5C17H17 (1)
Stoich.:	A2B5C17D17 (1)
Weight, g/mol:	346.054949
ΔH_f, kcal/mol:	61.0
Dipole, Da:	6.38
IP(EA), eV:	-8.71(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-6-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-ylidene)-2-nitro-3-(1,2-oxazole-5-carbonyl)cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=NC(=CC(=C2)C3=CNC4=NC=C(N=C34)Cl)Cl

DOS

IR

Vibrations