Geometry & MOs

Info

ID:	449789
PubChem CID:	135301488
Reduced:	NH17C22 (1)
Stoich.:	AB17C22 (1)
Weight, g/mol:	315.125929
ΔH_f, kcal/mol:	161.5
Dipole, Da:	3.7
IP(EA), eV:	-7.61(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-methyl-6-azahexacyclo[15.2.1.114,17.01,14.02,7.08,13]henicosa-2(7),3,5,8(13),9,11-hexaene-16,18-dione

Drug info:

PubChemData

Smile

C1CC23CCC1=C2C4=CC=CC=C4C5=NC6=CC=CC=C6C=C35

DOS

IR

Vibrations