Geometry & MOs

Info

ID:	137728
PubChem CID:	52254496
Reduced:	O3N5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-85.21
Dipole, Da:	8.1
IP(EA), eV:	-9.14(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-phenylbutanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC2=CC=CC(=C2)CN3C=NC=N3

DOS

IR

Vibrations