Geometry & MOs

Info

ID:	254036
PubChem CID:	103122342
Reduced:	ISH4N5C8 (1)
Stoich.:	ABC4D5E8 (1)
Weight, g/mol:	277.09819
ΔH_f, kcal/mol:	157.44
Dipole, Da:	3.76
IP(EA), eV:	-9.4(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-(2-chloroethyl)-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CN2C(=C(C=N2)C3=NN=C(S3)I)C=N1

DOS

IR

Vibrations