Geometry & MOs

Info

ID:	136601
PubChem CID:	52071930
Reduced:	O3N4C26H38 (1)
Stoich.:	A3B4C26D38 (1)
Weight, g/mol:	413.255266
ΔH_f, kcal/mol:	-90.39
Dipole, Da:	7.06
IP(EA), eV:	-8.34(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-1-ium-4-yl]-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CCCCN1CCN(CC1)C(=O)C2CCN(CC2)CC3=C(OC(=N3)C4=CC=CC=C4OC)C

DOS

IR

Vibrations