Geometry & MOs

Info

ID:	385553
PubChem CID:	134979391
Reduced:	NO4C26H27 (1)
Stoich.:	AB4C26D27 (1)
Weight, g/mol:	440.340279
ΔH_f, kcal/mol:	-82.26
Dipole, Da:	2.32
IP(EA), eV:	-9.44(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,5Z,13R,16Z)-25-(dimethoxymethyl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-triene

Drug info:

PubChemData

Smile

C[C@@H](/C=C/C(=O)C=C)[C@@H](CCCN1C(=O)C2=CC=CC=C2C1=O)OCC3=CC=CC=C3

DOS

IR

Vibrations