Geometry & MOs

Info

ID:	198957
PubChem CID:	79178361
Reduced:	FSO4H13C15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	253.132746
ΔH_f, kcal/mol:	-168.17
Dipole, Da:	2.17
IP(EA), eV:	-9.36(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1H-pyrazol-4-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CS(=O)(=O)C2=C(C=C(C=C2)C(=O)O)F

DOS

IR

Vibrations