Geometry & MOs

Info

ID:	37044
PubChem CID:	8016381
Reduced:	ClON2H13C24 (1)
Stoich.:	ABC2D13E24 (1)
Weight, g/mol:	360.111007
ΔH_f, kcal/mol:	68.58
Dipole, Da:	0.67
IP(EA), eV:	-8.93(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,16,17-trimethoxy-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13(18),14,16-nonaen-19-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=NC=C(C4=C3N(C2=O)C5=CC=CC=C54)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations