Geometry & MOs

Info

ID:	126911
PubChem CID:	50983902
Reduced:	O2N5C18H27 (1)
Stoich.:	A2B5C18D27 (1)
Weight, g/mol:	327.169525
ΔH_f, kcal/mol:	-31.04
Dipole, Da:	1.96
IP(EA), eV:	-8.95(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CCC(=O)NCC2=NC(=NO2)C3CCCCC3

DOS

IR

Vibrations