Geometry & MOs

Info

ID:	418599
PubChem CID:	135106079
Reduced:	ON4C19H28 (1)
Stoich.:	AB4C19D28 (1)
Weight, g/mol:	428.217203
ΔH_f, kcal/mol:	-21.56
Dipole, Da:	4.91
IP(EA), eV:	-8.71(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-9-oxa-1,12,13,14,19,22-hexazatetracyclo[20.2.2.112,15.03,8]heptacosa-3(8),4,6,13,15(27)-pentaene-2,18-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)N(CCN(C)C)CC2=C(NC=N2)C)C

DOS

IR

Vibrations