Geometry & MOs

Info

ID:	254097
PubChem CID:	103122679
Reduced:	BrON3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	275.02694
ΔH_f, kcal/mol:	-22.55
Dipole, Da:	7.26
IP(EA), eV:	-9.6(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-bromoethoxy)ethyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC2CCC(CC2)Br

DOS

IR

Vibrations