Geometry & MOs

Info

ID:	440189
PubChem CID:	135230099
Reduced:	ON8C20H26 (1)
Stoich.:	AB8C20D26 (1)
Weight, g/mol:	250.098524
ΔH_f, kcal/mol:	47.43
Dipole, Da:	5.57
IP(EA), eV:	-8.02(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(13R)-4-chloro-13-propan-2-yl-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene

Drug info:

PubChemData

Smile

CC1(CNC(C2=CC3=CN=C(N=C3N21)NC4=NC=C(C=C4)N5CCNCC5)O)C

DOS

IR

Vibrations