Geometry & MOs

Info

ID:	144203
PubChem CID:	53332064
Reduced:	FO3N5H24C25 (1)
Stoich.:	AB3C5D24E25 (1)
Weight, g/mol:	481.172559
ΔH_f, kcal/mol:	-25.73
Dipole, Da:	2.54
IP(EA), eV:	-8.44(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(4-butoxyphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-5-one

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C2=NN3C=CN4C(=NN(C4=O)CC5=CC(=C(C=C5)OC)F)C3=C2

DOS

IR

Vibrations