Geometry & MOs

Info

ID:	167092
PubChem CID:	74779379
Reduced:	O2N5C23H35 (1)
Stoich.:	A2B5C23D35 (1)
Weight, g/mol:	428.266165
ΔH_f, kcal/mol:	-58.65
Dipole, Da:	7.28
IP(EA), eV:	-8.62(0.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCCC2=CC=CC=C2)C3CCN(CC3)C(=O)C4CNNC4

DOS

IR

Vibrations