Geometry & MOs

Info

ID:	69649
PubChem CID:	47205085
Reduced:	BrClON3H9C11 (1)
Stoich.:	ABCD3E9F11 (1)
Weight, g/mol:	207.046633
ΔH_f, kcal/mol:	17.16
Dipole, Da:	5.36
IP(EA), eV:	-9.82(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)C(=O)NCC2=CC=NN2)Cl

DOS

IR

Vibrations