Geometry & MOs

Info

ID:	237167
PubChem CID:	92717730
Reduced:	ClO2N3C23H24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	342.115047
ΔH_f, kcal/mol:	-48.93
Dipole, Da:	3.35
IP(EA), eV:	-8.61(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethoxyphenyl)-N-[(1S)-1-thiophen-2-ylethyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

C1[C@H](CN(C1=O)CCC2=CNC3=C2C=C(C=C3)Cl)C(=O)NCCC4=CC=CC=C4

DOS

IR

Vibrations