Geometry & MOs

Info

ID:	423154
PubChem CID:	135119023
Reduced:	ON4C13H18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	484.279804
ΔH_f, kcal/mol:	9.83
Dipole, Da:	5.17
IP(EA), eV:	-8.8(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(14R)-20-(2,2-dimethylpropanoyl)-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)CC2=CN=CC=C2

DOS

IR

Vibrations