Geometry & MOs

Info

ID:	374106
PubChem CID:	131323758
Reduced:	N5C11H17 (1)
Stoich.:	A5B11C17 (1)
Weight, g/mol:	176.069811
ΔH_f, kcal/mol:	62.29
Dipole, Da:	5.48
IP(EA), eV:	-9.15(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-methylpyrrol-2-yl)-2H-triazole-4-carbaldehyde

Drug info:

PubChemData

Smile

CCCN1C(=CN=C1N2CCNCC2)C#N

DOS

IR

Vibrations