Geometry & MOs

Info

ID:	442958
PubChem CID:	135257133
Reduced:	ClO2N5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-5.82
Dipole, Da:	4.04
IP(EA), eV:	-8.23(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(6-methyl-1,4-dioxaspiro[4.4]nonan-9-ylidene)methyl]-1-phenylmethanamine

Drug info:

PubChemData

Smile

C[C@H]1[C@H](C2(CCN(CC2)C3=NC(=C(N4C3=CC=N4)C5=C(C(=CC=C5)OC)Cl)C)CO1)N

DOS

IR

Vibrations