Geometry & MOs

Info

ID:	418492
PubChem CID:	135105214
Reduced:	NO4C23H25 (1)
Stoich.:	AB4C23D25 (1)
Weight, g/mol:	327.169525
ΔH_f, kcal/mol:	-114.11
Dipole, Da:	4.89
IP(EA), eV:	-9.6(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-benzyl-3-oxopiperazin-1-yl)-N-(1-methylpyrazol-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CN(C[C@H]([C@@]1(CC2=CC=CC=C2)C(=O)O)O)C(=O)C3(CC3)C4=CC=CC=C4

DOS

IR

Vibrations