Geometry & MOs

Info

ID:	286818
PubChem CID:	104222511
Reduced:	N7C11H11 (1)
Stoich.:	A7B11C11 (1)
Weight, g/mol:	259.118158
ΔH_f, kcal/mol:	170.38
Dipole, Da:	10.5
IP(EA), eV:	-9.85(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(2-methoxyethylamino)methyl]pyrimidin-2-yl]-1,2,4-triazole-3-carbonitrile

Drug info:

PubChemData

Smile

C1CC1NCC2=CN=C(N=C2)N3C=NC(=N3)C#N

DOS

IR

Vibrations