Geometry & MOs

Info

ID:	129085
PubChem CID:	51069685
Reduced:	N3O4C28H29 (1)
Stoich.:	A3B4C28D29 (1)
Weight, g/mol:	421.236542
ΔH_f, kcal/mol:	-26.12
Dipole, Da:	6.14
IP(EA), eV:	-8.81(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(2-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-2-methyl-N-propylpropanamide

Drug info:

PubChemData

Smile

CN1C(=C(C(=N1)C2=CC=CC=C2)CN(CC3=CC=CC=C3)C(=O)COC)OC4=CC=CC=C4OC

DOS

IR

Vibrations