Geometry & MOs

Info

ID:	21239
PubChem CID:	587761
Reduced:	N2O5C25H34 (1)
Stoich.:	A2B5C25D34 (1)
Weight, g/mol:	442.246772
ΔH_f, kcal/mol:	-173.25
Dipole, Da:	2.77
IP(EA), eV:	-7.73(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-ethyl-9-(2-hydroxyethyl)-18,19-dimethoxy-16-oxa-5,13-diazahexacyclo[11.7.1.12,5.02,12.017,21.09,22]docosa-1(20),17(21),18-trien-10-one

Drug info:

PubChemData

Smile

CCC1COC2=C3N1C4CC(=O)C5(CCCN6C5C4(C3=CC(=C2OC)OC)CC6)CCO

DOS

IR

Vibrations