Geometry & MOs

Info

ID:	70917
PubChem CID:	48414045
Reduced:	ON5H19C20 (1)
Stoich.:	AB5C19D20 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	57.5
Dipole, Da:	5.88
IP(EA), eV:	-9.12(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-oxo-4-(4-propoxyphenyl)butanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC3=C(C=C2)N(C(=N3)C)C4=CC=CC=C4

DOS

IR

Vibrations