Geometry & MOs

Info

ID:	447027
PubChem CID:	135279635
Reduced:	ClO2F3N7H29C30 (1)
Stoich.:	AB2C3D7E29F30 (1)
Weight, g/mol:	127.099714
ΔH_f, kcal/mol:	-110.58
Dipole, Da:	5.23
IP(EA), eV:	-9.64(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4-oxa-6-azaspiro[2.5]octane

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](C2=CC=CC(=C2)C[C@@H](NC1=O)CC=N)N3C=NC(=CC3=O)C4=C(C=CC(=C4)Cl)N5C=C(N=N5)C(F)(F)F

DOS

IR

Vibrations