Geometry & MOs

Info

ID:	165125
PubChem CID:	74502857
Reduced:	N3O4C20H33 (1)
Stoich.:	A3B4C20D33 (1)
Weight, g/mol:	420.23995
ΔH_f, kcal/mol:	-60.27
Dipole, Da:	16.02
IP(EA), eV:	-6.2(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-1-ium-2-yl]acetamide

Drug info:

PubChemData

Smile

CC[NH+](CC)CC(COC1=C(C=CC(=C1)C[NH+](C)CC2=NOC=C2)OC)O

DOS

IR

Vibrations