Geometry & MOs

Info

ID:	148502
PubChem CID:	53788165
Reduced:	N2H5C6 (2)
Stoich.:	A2B5C6 (2)
Weight, g/mol:	329.235479
ΔH_f, kcal/mol:	117.49
Dipole, Da:	2.39
IP(EA), eV:	-8.96(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9R)-3,10,14,14,17-pentamethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,13-diol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CN(N=C2)C3=CC=NN3

DOS

IR

Vibrations