Geometry & MOs

Info

ID:	171472
PubChem CID:	75381546
Reduced:	BrN2O3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	341.119798
ΔH_f, kcal/mol:	-71.95
Dipole, Da:	2.51
IP(EA), eV:	-9.19(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(methoxymethyl)phenyl]methyl]-2-(3-thiophen-2-ylpyrazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=O)NCC(C2=CC=CO2)O)Br

DOS

IR

Vibrations