Geometry & MOs

Info

ID:	189737
PubChem CID:	77897820
Reduced:	FN4O4C18H19 (1)
Stoich.:	AB4C4D18E19 (1)
Weight, g/mol:	348.158626
ΔH_f, kcal/mol:	-161.66
Dipole, Da:	4.96
IP(EA), eV:	-9.97(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-(pyrazol-1-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CN1C(=O)C(C=NC1=O)CC(=O)N2CCN(C(=O)C2)CC3=CC=CC=C3F

DOS

IR

Vibrations