Geometry & MOs

Info

ID:	423565
PubChem CID:	135119747
Reduced:	O3N5C16H27 (1)
Stoich.:	A3B5C16D27 (1)
Weight, g/mol:	413.206304
ΔH_f, kcal/mol:	-71.72
Dipole, Da:	4.98
IP(EA), eV:	-8.78(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,23-dioxa-1,12,13,14,19-pentazatetracyclo[20.3.1.14,8.112,15]octacosa-4(28),5,7,13,15(27)-pentaene-2,18-dione

Drug info:

PubChemData

Smile

COCC1=NOC(=N1)CN2CCC(CC2)(C(=O)N)N3CCCCC3

DOS

IR

Vibrations