Geometry & MOs

Info

ID:	150475
PubChem CID:	53790165
Reduced:	NO3Cl4C20H27 (1)
Stoich.:	AB3C4D20E27 (1)
Weight, g/mol:	282.209599
ΔH_f, kcal/mol:	-114.69
Dipole, Da:	2.52
IP(EA), eV:	-9.18(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

18-methyl-5,20-diazapentacyclo[10.5.3.01,13.02,10.04,8]icosa-12(20),13,16-triene

Drug info:

PubChemData

Smile

CC(=NOCCCCOC1=C(C=C(C=C1Cl)OCC=C(Cl)Cl)Cl)CC(C)(C)C

DOS

IR

Vibrations