Geometry & MOs

Info

ID:	435732
PubChem CID:	135192263
Reduced:	BrO3N6C24H31 (1)
Stoich.:	AB3C6D24E31 (1)
Weight, g/mol:	485.265157
ΔH_f, kcal/mol:	-35.18
Dipole, Da:	7.53
IP(EA), eV:	-8.1(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(6-aminopyrazin-2-yl)-5-methyl-N-[(2Z,4E)-4-[4-(oxetan-3-yl)piperazin-1-yl]cycloocta-2,4,7-trien-1-yl]imidazo[1,2-a]pyrazin-8-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C1=CC=C(C=C1)N2CCN(CC2)C3COC3)C4=NC(=CN5C4=NCC5)Br

DOS

IR

Vibrations