Geometry & MOs

Info

ID:	246430
PubChem CID:	103059641
Reduced:	N2O3C15H32 (1)
Stoich.:	A2B3C15D32 (1)
Weight, g/mol:	222.068766
ΔH_f, kcal/mol:	-146.76
Dipole, Da:	2.34
IP(EA), eV:	-8.8(1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyrazin-2-amine

Drug info:

PubChemData

Smile

CCNC1CCOCC1CN(CCOC)C(C)COC

DOS

IR

Vibrations