Geometry & MOs

Info

ID:	212485
PubChem CID:	81060692
Reduced:	S2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	289.136117
ΔH_f, kcal/mol:	53.53
Dipole, Da:	5.39
IP(EA), eV:	-8.58(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[(2-propan-2-ylpyrazol-3-yl)amino]pyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)N2CCC3=C(C2)C=CS3

DOS

IR

Vibrations