Geometry & MOs

Info

ID:	445498
PubChem CID:	135267391
Reduced:	F2O2N3C14H16 (2)
Stoich.:	A2B2C3D14E16 (2)
Weight, g/mol:	417.085574
ΔH_f, kcal/mol:	-292.49
Dipole, Da:	9.62
IP(EA), eV:	-9.0(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11Z)-4-chloro-14-[3-(trifluoromethyl)phenyl]-3,8,14-triazatricyclo[8.7.0.02,7]heptadeca-1,3,5,7,9,11-hexaen-13-one

Drug info:

PubChemData

Smile

CC(=O)N(C)C1=CC=CC=C1OC2=NC(=NC=C2C(F)(F)F)NC3=C(C=C(C(=C3)F)C(C)(NC4CCNCC4)O)OC

DOS

IR

Vibrations