Geometry & MOs

Info

ID:	436067
PubChem CID:	135193666
Reduced:	OSN7C28H39 (1)
Stoich.:	ABC7D28E39 (1)
Weight, g/mol:	558.175786
ΔH_f, kcal/mol:	32.08
Dipole, Da:	6.43
IP(EA), eV:	-7.58(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C2=CC=C(C=C2)C3=C(N4C(=N3)SC(=N4)N5CCC(CC5)C(=O)N6CCN(CC6)C)C

DOS

IR

Vibrations