Geometry & MOs

Info

ID:	173822
PubChem CID:	75688335
Reduced:	O2N4C22H35 (1)
Stoich.:	A2B4C22D35 (1)
Weight, g/mol:	343.213401
ΔH_f, kcal/mol:	-32.29
Dipole, Da:	11.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.774052
Charge, e:	1

Chem-info

IUPAC name:

N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CC[NH+](C(C3)CCO)CC(C)C

DOS

IR

Vibrations