Geometry & MOs

Info

ID:	330665
PubChem CID:	127248072
Reduced:	SO2N3C18H29 (1)
Stoich.:	AB2C3D18E29 (1)
Weight, g/mol:	357.216475
ΔH_f, kcal/mol:	-80.89
Dipole, Da:	4.84
IP(EA), eV:	-8.34(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CS1)C(=O)N2CCC(C2)(CN3CCN(CC3)C)O

DOS

IR

Vibrations