Geometry & MOs

Info

ID:	255900
PubChem CID:	103135498
Reduced:	SO5C14H18 (1)
Stoich.:	AB5C14D18 (1)
Weight, g/mol:	257.189198
ΔH_f, kcal/mol:	-211.07
Dipole, Da:	4.55
IP(EA), eV:	-10.06(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-tert-butylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)C

DOS

IR

Vibrations