Geometry & MOs

Info

ID:	396407
PubChem CID:	135028296
Reduced:	O2N3H21C25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	86.74
Dipole, Da:	5.26
IP(EA), eV:	-9.24(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9S,11R,13S,17R)-11-methyl-6,14-diazatetracyclo[7.6.2.02,7.013,17]heptadeca-2(7),3-dien-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C(C2=CC=CC=C2)N3C=C(N=N3)COC4=CC=CC=C4C=O

DOS

IR

Vibrations