Geometry & MOs

Info

ID:	427165
PubChem CID:	135155827
Reduced:	O2F4N6H34C35 (1)
Stoich.:	A2B4C6D34E35 (1)
Weight, g/mol:	547.238353
ΔH_f, kcal/mol:	-166.22
Dipole, Da:	2.88
IP(EA), eV:	-9.16(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one

Drug info:

PubChemData

Smile

CC(C)CCC1(C(=O)N(C(=N1)N)CC2=CC(=C(C=C2)C(F)(F)F)C(=O)N3CCC4=C(C3)C=NN4C5=CC=CC=C5)C6=CC=C(C=C6)F

DOS

IR

Vibrations