Geometry & MOs

Info

ID:	144267
PubChem CID:	53340195
Reduced:	O3N5C25H37 (1)
Stoich.:	A3B5C25D37 (1)
Weight, g/mol:	365.165188
ΔH_f, kcal/mol:	-80.67
Dipole, Da:	6.04
IP(EA), eV:	-8.89(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(4-fluorophenyl)-12-(5-methyl-1H-imidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13)-dien-4-one

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC=C1)C(C)C)NC2=NC=C(C=N2)C(=O)N(C)CCCCCCC(=O)NO

DOS

IR

Vibrations