Geometry & MOs

Info

ID:	291777
PubChem CID:	113489628
Reduced:	NOSC6H10 (2)
Stoich.:	ABCD6E10 (2)
Weight, g/mol:	261.129969
ΔH_f, kcal/mol:	-102.16
Dipole, Da:	1.65
IP(EA), eV:	-8.98(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-(2-methylsulfanylphenyl)-4-propan-2-ylpyrazol-3-amine

Drug info:

PubChemData

Smile

CCC1C(=O)N(C(C(=O)N1)C)CC2CSCCS2

DOS

IR

Vibrations