Geometry & MOs

Info

ID:	206335
PubChem CID:	80232815
Reduced:	OSN2C6H6 (2)
Stoich.:	ABC2D6E6 (2)
Weight, g/mol:	308.130697
ΔH_f, kcal/mol:	72.29
Dipole, Da:	4.74
IP(EA), eV:	-9.01(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-ethylthiophen-2-yl)methyl]-2-methyl-4-nitro-5-propylpyrazol-3-amine

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)CNC2=C(N3C=CSC3=N2)[N+](=O)[O-]

DOS

IR

Vibrations