Geometry & MOs

Info

ID:	2317
PubChem CID:	6770
Reduced:	NO4H17C19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	323.115758
ΔH_f, kcal/mol:	-84.82
Dipole, Da:	1.9
IP(EA), eV:	-8.59(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaene

Drug info:

PubChemData

Smile

C1CN2CC3=C(CC2C4=CC5=C(C=C41)OCO5)C=CC6=C3OCO6

DOS

IR

Vibrations