Geometry & MOs

Info

ID:	248237
PubChem CID:	103079904
Reduced:	O3N5C11H13 (1)
Stoich.:	A3B5C11D13 (1)
Weight, g/mol:	253.063346
ΔH_f, kcal/mol:	24.05
Dipole, Da:	6.36
IP(EA), eV:	-8.98(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCC2=CN=C(C=C2)OC)[N+](=O)[O-]

DOS

IR

Vibrations