Geometry & MOs

Info

ID:	286816
PubChem CID:	104222506
Reduced:	NC3H3 (5)
Stoich.:	AB3C3 (5)
Weight, g/mol:	215.091943
ΔH_f, kcal/mol:	124.83
Dipole, Da:	5.26
IP(EA), eV:	-8.87(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNCC1=CN=C(N=C1)N2C=C(C=N2)C3=CC=CC=C3

DOS

IR

Vibrations