Geometry & MOs

Info

ID:	417975
PubChem CID:	135103205
Reduced:	N3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	495.167332
ΔH_f, kcal/mol:	-111.98
Dipole, Da:	1.81
IP(EA), eV:	-8.44(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-chloro-9,19-dioxa-3,4,5,15,22-pentazapentacyclo[22.2.2.210,13.12,5.118,22]dotriaconta-1(27),2(32),3,10,12,24(28),25,30-octaene-14,23-dione

Drug info:

PubChemData

Smile

CC1=NN(C=C1)CC(=O)N2CCC3(CC2)C4=CC(=C(C=C4CCO3)OC)OC

DOS

IR

Vibrations