Geometry & MOs

Info

ID:	304295
PubChem CID:	124504406
Reduced:	O5C15H16 (1)
Stoich.:	A5B15C16 (1)
Weight, g/mol:	411.11384
ΔH_f, kcal/mol:	-173.33
Dipole, Da:	6.1
IP(EA), eV:	-8.98(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-tert-butyl-10-(4-chlorophenyl)-8-oxo-14,16-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,12,15-heptaene-12-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)C=C(C=C2OC[C@H]3CCCO3)C(=O)O

DOS

IR

Vibrations