Geometry & MOs

Info

ID:	209707
PubChem CID:	80706399
Reduced:	ClON2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	198.125594
ΔH_f, kcal/mol:	-56.34
Dipole, Da:	6.38
IP(EA), eV:	-8.51(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,5,5-trimethyl-1-oxaspiro[2.4]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC1(CCC(C1)NC2=C(C=CC(=C2)C(=O)N(C)C)Cl)C

DOS

IR

Vibrations