Geometry & MOs

Info

ID:	207986
PubChem CID:	80476992
Reduced:	NSC5H6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	313.98369
ΔH_f, kcal/mol:	55.07
Dipole, Da:	4.02
IP(EA), eV:	-9.19(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-aminopyrazol-1-yl)-N-[(3-bromothiophen-2-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(C2=CN=CS2)NC

DOS

IR

Vibrations