Geometry & MOs

Info

ID:	25913
PubChem CID:	633507
Reduced:	O4N5C19H23 (1)
Stoich.:	A4B5C19D23 (1)
Weight, g/mol:	442.344695
ΔH_f, kcal/mol:	-128.65
Dipole, Da:	5.32
IP(EA), eV:	-9.05(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7,9,13-trimethyl-6-(3-methylbut-3-enyl)-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-yl] acetate

Drug info:

PubChemData

Smile

CCNC(=O)COC1=CC=C(C=C1)C2=NC3=C(N2)C(=O)N(C(=O)N3CC)CC

DOS

IR

Vibrations