Geometry & MOs

Info

ID:	176853
PubChem CID:	76105556
Reduced:	N2O2C13H15 (2)
Stoich.:	A2B2C13D15 (2)
Weight, g/mol:	472.428031
ΔH_f, kcal/mol:	-119.06
Dipole, Da:	4.23
IP(EA), eV:	-9.33(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-(6,6-dimethylheptan-2-yl)-2,8,9,10,11,16-hexamethyl-4-oxapentacyclo[9.7.0.02,8.03,5.012,16]octadecan-6-ol

Drug info:

PubChemData

Smile

C1CCC(C1)(C(CC(C(CC2=CC=CC=C2)NC(=O)C3=NC4=CC=CC=C4N=C3)O)C(=O)N)O

DOS

IR

Vibrations