Geometry & MOs

Info

ID:	364921
PubChem CID:	127316567
Reduced:	ON2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	323.177982
ΔH_f, kcal/mol:	-65.8
Dipole, Da:	1.92
IP(EA), eV:	-8.8(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyclobutylpiperazin-1-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)NCC(=O)N2CCN(CC2)C3CCC3

DOS

IR

Vibrations