Geometry & MOs

Info

ID:	415756
PubChem CID:	135088756
Reduced:	O3N5C16H25 (1)
Stoich.:	A3B5C16D25 (1)
Weight, g/mol:	427.221954
ΔH_f, kcal/mol:	-50.69
Dipole, Da:	4.08
IP(EA), eV:	-9.35(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-9-oxa-1,12,13,14,19-pentazatetracyclo[20.3.1.112,15.03,8]heptacosa-3(8),4,6,13,15(27)-pentaene-2,18-dione

Drug info:

PubChemData

Smile

CC1=NN=C(O1)CN2CCCN(CC2)C(=O)C3CC(=NO3)C(C)C

DOS

IR

Vibrations