Geometry & MOs

Info

ID:	359532
PubChem CID:	127298806
Reduced:	ON6C18H22 (1)
Stoich.:	AB6C18D22 (1)
Weight, g/mol:	399.194026
ΔH_f, kcal/mol:	77.53
Dipole, Da:	6.93
IP(EA), eV:	-8.44(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-(2,4-dimethylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4)C

DOS

IR

Vibrations