Geometry & MOs

Info

ID:	127595
PubChem CID:	51007881
Reduced:	NO4C15H23 (1)
Stoich.:	AB4C15D23 (1)
Weight, g/mol:	466.190595
ΔH_f, kcal/mol:	-184.01
Dipole, Da:	5.32
IP(EA), eV:	-9.3(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,14-dibenzyl-3,4,5,14,15,16-hexazapentacyclo[16.4.0.02,6.07,12.013,17]docosa-1(22),2(6),3,7,9,11,13(17),15,18,20-decaene

Drug info:

PubChemData

Smile

CC(=CC[C@]12C[C@@H](CN1C(=O)OC(C)(C)C)OC2=O)C

DOS

IR

Vibrations