Geometry & MOs

Info

ID:	71021
PubChem CID:	48414188
Reduced:	O2N6C15H16 (1)
Stoich.:	A2B6C15D16 (1)
Weight, g/mol:	328.153541
ΔH_f, kcal/mol:	41.72
Dipole, Da:	5.59
IP(EA), eV:	-9.82(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-cyano-2-methoxyphenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCC2=NC(=NO2)C3=CN=CC=C3

DOS

IR

Vibrations