Geometry & MOs

Info

ID:	434282
PubChem CID:	135174580
Reduced:	N3C14H29 (1)
Stoich.:	A3B14C29 (1)
Weight, g/mol:	466.232385
ΔH_f, kcal/mol:	-13.71
Dipole, Da:	1.67
IP(EA), eV:	-8.18(2.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-4-[3-[4-(2,2-dimethylpropanoyl)phenyl]propyl]-3-(hydroxymethyl)piperazin-1-yl]-3-(disulfanyl)-3-methylbutan-2-one

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C2CN(C2)C(C)(C)C

DOS

IR

Vibrations