Geometry & MOs

Info

ID:	291975
PubChem CID:	113999688
Reduced:	SN2O2C14H28 (1)
Stoich.:	AB2C2D14E28 (1)
Weight, g/mol:	267.165686
ΔH_f, kcal/mol:	-142.21
Dipole, Da:	4.17
IP(EA), eV:	-8.9(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-methyl-4-(propylaminomethyl)phenyl]sulfanylbutan-2-ol

Drug info:

PubChemData

Smile

CC(C)NC1(CCCC(C1)SC(C)C(C)O)C(=O)N

DOS

IR

Vibrations