Geometry & MOs

Info

ID:	12262
PubChem CID:	133642
Reduced:	NO2C20H21 (1)
Stoich.:	AB2C20D21 (1)
Weight, g/mol:	307.157229
ΔH_f, kcal/mol:	-33.1
Dipole, Da:	1.7
IP(EA), eV:	-8.64(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12R)-13-propyl-4,6-dioxa-13-azapentacyclo[10.7.1.02,10.03,7.016,20]icosa-1(19),2(10),3(7),8,16(20),17-hexaene

Drug info:

PubChemData

Smile

CCCN1CCC2=C3[C@H]1CC4=C(C3=CC=C2)C5=C(C=C4)OCO5

DOS

IR

Vibrations