Geometry & MOs

Info

ID:	137729
PubChem CID:	52254532
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-30.19
Dipole, Da:	4.99
IP(EA), eV:	-8.85(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1)C(=O)NC2=CN(N=C2)CC(=O)N

DOS

IR

Vibrations