Geometry & MOs

Info

ID:	70870
PubChem CID:	48413980
Reduced:	O2N3H17C18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	6.15
Dipole, Da:	5.64
IP(EA), eV:	-9.29(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-tert-butylphenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC=CC=C2OC3=CC=CC=C3

DOS

IR

Vibrations