Geometry & MOs

Info

ID:	385951
PubChem CID:	134980388
Reduced:	O3C16H22 (1)
Stoich.:	A3B16C22 (1)
Weight, g/mol:	306.115698
ΔH_f, kcal/mol:	-105.17
Dipole, Da:	3.57
IP(EA), eV:	-9.39(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z,11Z,13Z,15Z)-3,24-diazapentacyclo[14.8.0.02,11.04,9.018,23]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene

Drug info:

PubChemData

Smile

CC1=CC[C@@H]2[C@]([C@@H]1COC)(C(=O)C=CC2(C)C)C=O

DOS

IR

Vibrations