Geometry & MOs

Info

ID:	71190
PubChem CID:	48414426
Reduced:	OSN4C21H28 (1)
Stoich.:	ABC4D21E28 (1)
Weight, g/mol:	402.205576
ΔH_f, kcal/mol:	28.18
Dipole, Da:	4.69
IP(EA), eV:	-8.85(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=C12)C)C(C)(C)C)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations