Geometry & MOs

Info

ID:	70738
PubChem CID:	48413799
Reduced:	O3N5C23H23 (1)
Stoich.:	A3B5C23D23 (1)
Weight, g/mol:	337.142641
ΔH_f, kcal/mol:	10.82
Dipole, Da:	5.41
IP(EA), eV:	-8.22(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(4-phenoxyphenoxy)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=NN(C=C2C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

DOS

IR

Vibrations