Geometry & MOs

Info

ID:	255739
PubChem CID:	103134391
Reduced:	SO5C9H16 (1)
Stoich.:	AB5C9D16 (1)
Weight, g/mol:	267.148396
ΔH_f, kcal/mol:	-235.58
Dipole, Da:	3.24
IP(EA), eV:	-10.1(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(1-methylpyrazol-3-yl)-1-(1-phenylpyrazol-4-yl)methanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CS(=O)(=O)CCC(=O)O

DOS

IR

Vibrations