Geometry & MOs

Info

ID:	221202
PubChem CID:	85257239
Reduced:	NOC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	296.198759
ΔH_f, kcal/mol:	-58.77
Dipole, Da:	6.75
IP(EA), eV:	-8.9(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-methyl-5-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)pent-2-enoate

Drug info:

PubChemData

Smile

CCC1CCC(=O)N2C1C3=C(C(=O)CC2)C4=CC=CC=C4N3

DOS

IR

Vibrations