Geometry & MOs

Info

ID:	203406
PubChem CID:	79827080
Reduced:	SN5C10H11 (1)
Stoich.:	AB5C10D11 (1)
Weight, g/mol:	221.073517
ΔH_f, kcal/mol:	72.25
Dipole, Da:	4.23
IP(EA), eV:	-8.28(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-methylpyrazol-4-yl)sulfanylpyridine-2,3-diamine

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1)SC2=NC(=C(C=C2)N)N

DOS

IR

Vibrations