Geometry & MOs

Info

ID:	142472
PubChem CID:	53039724
Reduced:	ON5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	417.227709
ΔH_f, kcal/mol:	34.14
Dipole, Da:	6.84
IP(EA), eV:	-8.3(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[3-[[2-(3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanoyl]piperazin-1-yl]propanenitrile

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)CCNC2=C(N=C3N2C=CN=C3)C4=CC=CC=C4

DOS

IR

Vibrations