Geometry & MOs

Info

ID:	397544
PubChem CID:	135030368
Reduced:	NO3H15C19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	346.131742
ΔH_f, kcal/mol:	-57.38
Dipole, Da:	4.64
IP(EA), eV:	-9.07(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-(3-nitrophenyl)-11-oxa-16-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8-pentaene

Drug info:

PubChemData

Smile

C1CN2CC3=C(C=CC4=C3OC(=O)C=C4)OC2C5=CC=CC=C51

DOS

IR

Vibrations