Geometry & MOs

Info

ID:	399598
PubChem CID:	135041199
Reduced:	N3C17H25 (1)
Stoich.:	A3B17C25 (1)
Weight, g/mol:	226.120509
ΔH_f, kcal/mol:	12.89
Dipole, Da:	4.8
IP(EA), eV:	-8.05(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(2-oxopropyl)-1,4-dioxaspiro[4.6]undecan-8-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=CN=C(N2C(C)C)NC(C)C

DOS

IR

Vibrations