Geometry & MOs

Info

ID:	68851
PubChem CID:	46509446
Reduced:	O4N5C22H23 (1)
Stoich.:	A4B5C22D23 (1)
Weight, g/mol:	475.167811
ΔH_f, kcal/mol:	-71.23
Dipole, Da:	4.19
IP(EA), eV:	-9.2(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)OC(C)C(=O)NC(=O)NC4CC4)C

DOS

IR

Vibrations