Geometry & MOs

Info

ID:	248227
PubChem CID:	103079812
Reduced:	SO2N4C12H16 (1)
Stoich.:	AB2C4D12E16 (1)
Weight, g/mol:	280.099397
ΔH_f, kcal/mol:	33.68
Dipole, Da:	6.17
IP(EA), eV:	-8.88(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-nitro-N-(1-thiophen-2-ylbutyl)pyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)C(C)NC2=NN(C=C2[N+](=O)[O-])C

DOS

IR

Vibrations