Geometry & MOs

Info

ID:	422951
PubChem CID:	135118670
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	505.268905
ΔH_f, kcal/mol:	-58.54
Dipole, Da:	3.51
IP(EA), eV:	-8.57(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-20-methyl-9,18-dioxa-1,12,13,14,25-pentazapentacyclo[25.2.2.111,14.119,23.03,8]tritriaconta-3(8),4,6,11(33),12,19,21,23(32)-octaen-24-one

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)CN3C(=CC(=N3)C)N)OCC1

DOS

IR

Vibrations