Geometry & MOs

Info

ID:	71099
PubChem CID:	48414285
Reduced:	BrN3O3H16C17 (1)
Stoich.:	AB3C3D16E17 (1)
Weight, g/mol:	270.111676
ΔH_f, kcal/mol:	-26.3
Dipole, Da:	2.49
IP(EA), eV:	-9.19(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyanophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC=C(O2)COC3=CC=C(C=C3)Br

DOS

IR

Vibrations