Geometry & MOs

Info

ID:	223445
PubChem CID:	85335054
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	356.235145
ΔH_f, kcal/mol:	-57.52
Dipole, Da:	7.61
IP(EA), eV:	-9.1(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-but-2-en-2-yl-4,11-dimethyl-3,10-dioxatetracyclo[5.5.0.02,4.09,11]dodecan-6-yl)-3-methylhexa-3,5-dien-2-one

Drug info:

PubChemData

Smile

C1CCC2=C(N=NC(=O)C2C1)C3=CC(=CC=C3)NC(=O)CCOCCN

DOS

IR

Vibrations