Geometry & MOs

Info

ID:	21321
PubChem CID:	587931
Reduced:	NO2C12H17 (2)
Stoich.:	AB2C12D17 (2)
Weight, g/mol:	414.251858
ΔH_f, kcal/mol:	-136.94
Dipole, Da:	6.47
IP(EA), eV:	-7.53(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1COC2=C3N1C4CCC5(CCCN6C5C4(C3=CC(=C2OC)OC)CC6)CCO

DOS

IR

Vibrations