Geometry & MOs

Info

ID:	13712
PubChem CID:	397108
Reduced:	ON3H9C14 (1)
Stoich.:	AB3C9D14 (1)
Weight, g/mol:	235.074562
ΔH_f, kcal/mol:	170.28
Dipole, Da:	8.69
IP(EA), eV:	-8.71(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-oxa-13,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-15-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C=C4C(=NN=C4O3)N

DOS

IR

Vibrations