Geometry & MOs

Info

ID:	298780
PubChem CID:	117656655
Reduced:	O2N7C25H25 (1)
Stoich.:	A2B7C25D25 (1)
Weight, g/mol:	253.081104
ΔH_f, kcal/mol:	62.45
Dipole, Da:	2.88
IP(EA), eV:	-8.48(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(aminodiazenyl)diazenyl]ethynyl 2-(propanoyloxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

C=CCOC1=CC(=NC=C1)C2=NC(=NC=C2)NC3=CC4=C(C=C3)NC(=C4)C(=O)N5CCNCC5

DOS

IR

Vibrations