Geometry & MOs

Info

ID:	234567
PubChem CID:	92298706
Reduced:	N2S2O3C19H20 (1)
Stoich.:	A2B2C3D19E20 (1)
Weight, g/mol:	235.087625
ΔH_f, kcal/mol:	-57.52
Dipole, Da:	2.7
IP(EA), eV:	-8.86(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-(4-chlorophenyl)ethyl]-5-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H]2CC(=NN2C(=O)CSCC(=O)OC)C3=CC=CS3

DOS

IR

Vibrations