Geometry & MOs

Info

ID:	80352
PubChem CID:	49834122
Reduced:	ClSN4O11C31H37 (1)
Stoich.:	ABC4D11E31F37 (1)
Weight, g/mol:	201.126598
ΔH_f, kcal/mol:	-398.98
Dipole, Da:	10.7
IP(EA), eV:	-9.68(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(1-methyl-5-phenylpyrazol-3-yl)ethanamine

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)N[C@@H](CC(=O)O)/C=C(/S(=O)(=O)C)\Cl)NC(=O)[C@H](C1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations