Geometry & MOs

Info

ID:	420812
PubChem CID:	135114869
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	296.149793
ΔH_f, kcal/mol:	-31.7
Dipole, Da:	3.89
IP(EA), eV:	-8.77(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N,3-N-dimethyl-2-N-[[2-(1,2,4-triazol-1-yl)pyridin-3-yl]methyl]pyrazine-2,3-diamine

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)N(CCN(C)C)CC2=CN=CN2

DOS

IR

Vibrations