Geometry & MOs

Info

ID:	419467
PubChem CID:	135108248
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	399.190654
ΔH_f, kcal/mol:	-57.9
Dipole, Da:	6.86
IP(EA), eV:	-9.13(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-9-oxa-1,12,13,14,19-pentazatetracyclo[18.3.1.112,15.03,8]pentacosa-3(8),4,6,13,15(25)-pentaene-2,18-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)N2CCCN(CC2)C(=O)C3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations