Geometry & MOs

Info

ID:	364963
PubChem CID:	127316613
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	399.209282
ΔH_f, kcal/mol:	-69.43
Dipole, Da:	2.54
IP(EA), eV:	-8.55(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyclobutylpiperazin-1-yl)-2-[[4-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Drug info:

PubChemData

Smile

C1CCC(C1)(C(=O)N2CCN(CC2)C3CCC3)NC(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations