Geometry & MOs

Info

ID:	173823
PubChem CID:	75688364
Reduced:	O2N4C19H27 (1)
Stoich.:	A2B4C19D27 (1)
Weight, g/mol:	373.223966
ΔH_f, kcal/mol:	6.39
Dipole, Da:	3.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.017783
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(C)C(=O)NC3=CC(=NO3)C

DOS

IR

Vibrations