Geometry & MOs

Info

ID:	435066
PubChem CID:	135179461
Reduced:	NOSC9H11 (1)
Stoich.:	ABCD9E11 (1)
Weight, g/mol:	428.307264
ΔH_f, kcal/mol:	-17.35
Dipole, Da:	3.42
IP(EA), eV:	-9.31(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[[1-[2-[2-[4-[(2-methylpropan-2-yl)oxy]but-2-ynoxy]ethoxy]ethyl]piperidin-3-yl]methylsulfanylmethyl]propan-2-amine

Drug info:

PubChemData

Smile

CC(C(=O)CC1=CC=CC=N1)S

DOS

IR

Vibrations