Geometry & MOs

Info

ID:	438174
PubChem CID:	135227803
Reduced:	ON4C17H26 (1)
Stoich.:	AB4C17D26 (1)
Weight, g/mol:	421.157898
ΔH_f, kcal/mol:	-3.81
Dipole, Da:	8.71
IP(EA), eV:	-8.33(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-phenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene

Drug info:

PubChemData

Smile

CC1=C(N(N=N1)C)C2=CC(=C(C=C2)NC(C)(C)OC)C(C)C

DOS

IR

Vibrations