Geometry & MOs

Info

ID:	255298
PubChem CID:	103131229
Reduced:	SN3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	211.114319
ΔH_f, kcal/mol:	30.93
Dipole, Da:	4.27
IP(EA), eV:	-8.29(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrazol-3-yl)-(thian-2-yl)methanamine

Drug info:

PubChemData

Smile

CNC(C1CCCS1)C2=NN(C=C2)C

DOS

IR

Vibrations