Geometry & MOs

Info

ID:	10524
PubChem CID:	103809
Reduced:	NO6C25H27 (1)
Stoich.:	AB6C25D27 (1)
Weight, g/mol:	437.183838
ΔH_f, kcal/mol:	-196.95
Dipole, Da:	10.27
IP(EA), eV:	-9.23(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;N-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-ylmethyl)propan-2-amine

Drug info:

PubChemData

Smile

CC(C)NCC1COC2(O1)C3=CC=CC=C3C=CC4=CC=CC=C24.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations