Geometry & MOs

Info

ID:	320021
PubChem CID:	126657911
Reduced:	ON2C11H19 (2)
Stoich.:	AB2C11D19 (2)
Weight, g/mol:	386.13068
ΔH_f, kcal/mol:	-100.5
Dipole, Da:	3.89
IP(EA), eV:	-8.84(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,22-dimethyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene

Drug info:

PubChemData

Smile

CCCN1C[C@H](C[C@H]2[C@H]1CC(=C)C(=O)C2)NC(=O)N(CC)CCN3CCCC3

DOS

IR

Vibrations