Geometry & MOs

Info

ID:	188232
PubChem CID:	77686503
Reduced:	F2N2O5C21H24 (1)
Stoich.:	A2B2C5D21E24 (1)
Weight, g/mol:	365.137556
ΔH_f, kcal/mol:	-261.11
Dipole, Da:	6.3
IP(EA), eV:	-9.79(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine

Drug info:

PubChemData

Smile

C1CC(=O)N(C1C=CCCC2=CC(C(C=C2)(F)F)O)CCCC3=NC=C(O3)C(=O)O

DOS

IR

Vibrations