Geometry & MOs

Info

ID:	447044
PubChem CID:	135279778
Reduced:	FN3O4H26C29 (1)
Stoich.:	AB3C4D26E29 (1)
Weight, g/mol:	318.092376
ΔH_f, kcal/mol:	-92.78
Dipole, Da:	7.53
IP(EA), eV:	-9.4(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-chloro-13,13-dimethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C2=CC(=C(C=C2)F)COC3=NC=C(N=C3)[C@H]4CC4C(=O)O)C)C5=CC(=NC=C5)OC

DOS

IR

Vibrations