Geometry & MOs

Info

ID:	309458
PubChem CID:	126546390
Reduced:	O3C14H14 (1)
Stoich.:	A3B14C14 (1)
Weight, g/mol:	215.105862
ΔH_f, kcal/mol:	-71.73
Dipole, Da:	2.68
IP(EA), eV:	-9.43(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[2,3-bis(ethenyl)-1,4,5-triazabicyclo[2.1.0]pent-2-en-5-yl]hexa-1,3,5-trien-2-ol

Drug info:

PubChemData

Smile

C/C=C\C(=C/C=C)\C(=O)C1=C(C=C(C=C1)O)O

DOS

IR

Vibrations