Geometry & MOs

Info

ID:	158578
PubChem CID:	56464213
Reduced:	OSN4C24H36 (1)
Stoich.:	ABC4D24E36 (1)
Weight, g/mol:	430.269239
ΔH_f, kcal/mol:	-23.9
Dipole, Da:	2.61
IP(EA), eV:	-8.66(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-diethoxyethyl)-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)NCCCCN2CCN(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations