Geometry & MOs

Info

ID:	149354
PubChem CID:	53789026
Reduced:	O3N4C36H52 (1)
Stoich.:	A3B4C36D52 (1)
Weight, g/mol:	194.13068
ΔH_f, kcal/mol:	-117.0
Dipole, Da:	2.4
IP(EA), eV:	-8.63(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-methyl-1-oxacyclododeca-4,7-dien-2-one

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N1CCC(CC1)N(CC=C(C)C)C2=CC=C(C=C2)OCC3=CC=CC=C3)NC(=O)N4CCCCCC4

DOS

IR

Vibrations