Geometry & MOs

Info

ID:	315779
PubChem CID:	126628757
Reduced:	NO2C9H16 (2)
Stoich.:	AB2C9D16 (2)
Weight, g/mol:	408.325297
ΔH_f, kcal/mol:	-141.09
Dipole, Da:	1.13
IP(EA), eV:	-8.01(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6,8,9,11,15,17,18-octamethyl-2,6,11,15-tetrazatricyclo[14.2.2.27,10]docosa-1(18),7,9,16,19,21-hexaene

Drug info:

PubChemData

Smile

COCCN(CCOC)C1=CC=C(C=C1)N(CCOC)CCOC

DOS

IR

Vibrations