Geometry & MOs

Info

ID:	285273
PubChem CID:	104098917
Reduced:	SN5C8H11 (1)
Stoich.:	AB5C8D11 (1)
Weight, g/mol:	204.112344
ΔH_f, kcal/mol:	99.43
Dipole, Da:	4.98
IP(EA), eV:	-9.62(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(pyrimidin-5-ylmethyl)-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CN(N=N1)CCNCC2=NC=CS2

DOS

IR

Vibrations