Geometry & MOs

Info

ID:	285261
PubChem CID:	104098864
Reduced:	N2C5H9 (2)
Stoich.:	A2B5C9 (2)
Weight, g/mol:	244.143645
ΔH_f, kcal/mol:	42.54
Dipole, Da:	4.49
IP(EA), eV:	-9.45(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-4-[[2-(triazol-1-yl)ethylamino]methyl]pyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

C1CCC(C1)CNCCN2C=CN=N2

DOS

IR

Vibrations