Geometry & MOs

Info

ID:	71025
PubChem CID:	48414194
Reduced:	O2N4C17H26 (1)
Stoich.:	A2B4C17D26 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-85.87
Dipole, Da:	4.21
IP(EA), eV:	-9.26(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2CCCN2C(=O)C3CCCCC3

DOS

IR

Vibrations