Geometry & MOs

Info

ID:	397546
PubChem CID:	135030370
Reduced:	NOH21C25 (1)
Stoich.:	ABC21D25 (1)
Weight, g/mol:	360.147393
ΔH_f, kcal/mol:	43.32
Dipole, Da:	1.33
IP(EA), eV:	-8.45(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

18-(3-nitrophenyl)-11-oxa-17-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8-pentaene

Drug info:

PubChemData

Smile

C1CC2N(C1)C(C3=C(O2)C=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65

DOS

IR

Vibrations