Geometry & MOs

Info

ID:	70871
PubChem CID:	48413981
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-61.07
Dipole, Da:	4.94
IP(EA), eV:	-8.55(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCCOC2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations