Geometry & MOs

Info

ID:	305844
PubChem CID:	124971465
Reduced:	ON6H22C23 (1)
Stoich.:	AB6C22D23 (1)
Weight, g/mol:	370.211724
ΔH_f, kcal/mol:	73.23
Dipole, Da:	2.92
IP(EA), eV:	-9.22(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-benzyl-1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C(=O)C2=CC3=CC=CC=C3N=C2)CC4=CN=C(C=N4)C5=NC=CN5

DOS

IR

Vibrations