Geometry & MOs

Info

ID:	130165
PubChem CID:	51075125
Reduced:	ON5C18H25 (1)
Stoich.:	AB5C18D25 (1)
Weight, g/mol:	257.12766
ΔH_f, kcal/mol:	13.79
Dipole, Da:	6.57
IP(EA), eV:	-8.22(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)N2CCCCC2)C(=O)CCN3C=NC=N3

DOS

IR

Vibrations