Geometry & MOs

Info

ID:	207373
PubChem CID:	80388674
Reduced:	O2N5C13H21 (1)
Stoich.:	A2B5C13D21 (1)
Weight, g/mol:	264.104482
ΔH_f, kcal/mol:	-52.62
Dipole, Da:	8.93
IP(EA), eV:	-9.45(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methylthiophen-3-yl)methyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NC(=NN1)C(=O)N2CCN(C(=O)C2(C)C)C

DOS

IR

Vibrations