Geometry & MOs

Info

ID:	270487
PubChem CID:	103636822
Reduced:	ClFON2S2H12C13 (1)
Stoich.:	ABCD2E2F12G13 (1)
Weight, g/mol:	264.133474
ΔH_f, kcal/mol:	-58.09
Dipole, Da:	3.58
IP(EA), eV:	-8.67(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-5-nitro-N-(3-pyrazol-1-ylpropyl)imidazol-4-amine

Drug info:

PubChemData

Smile

CC1=C(SC(=S)N1)CC(=O)NCC2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations