Geometry & MOs

Info

ID:	248241
PubChem CID:	103079935
Reduced:	SO2N4C9H16 (1)
Stoich.:	AB2C4D9E16 (1)
Weight, g/mol:	272.013474
ΔH_f, kcal/mol:	19.16
Dipole, Da:	6.73
IP(EA), eV:	-8.61(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chlorothiophen-2-yl)methyl]-1-methyl-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CC(CNC1=NN(C=C1[N+](=O)[O-])C)CSC

DOS

IR

Vibrations