Geometry & MOs

Info

ID:	20982
PubChem CID:	586599
Reduced:	N2O5C25H34 (1)
Stoich.:	A2B5C25D34 (1)
Weight, g/mol:	442.246772
ΔH_f, kcal/mol:	-170.92
Dipole, Da:	2.91
IP(EA), eV:	-8.06(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7,8,9-trimethoxy-17-oxa-5,15-diazahexacyclo[13.4.3.01,16.04,12.06,11.012,16]docosa-6,8,10-trien-5-yl)propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1C2CCC34CCCN5C3(C2(CC5)C6=CC(=C(C(=C61)OC)OC)OC)OCC4

DOS

IR

Vibrations