Geometry & MOs

Info

ID:	286817
PubChem CID:	104222510
Reduced:	N7C9H9 (1)
Stoich.:	A7B9C9 (1)
Weight, g/mol:	241.107593
ΔH_f, kcal/mol:	150.54
Dipole, Da:	10.88
IP(EA), eV:	-9.89(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNCC1=CN=C(N=C1)N2C=NC(=N2)C#N

DOS

IR

Vibrations