Geometry & MOs

Info

ID:	282338
PubChem CID:	103922701
Reduced:	NOC14H27 (1)
Stoich.:	ABC14D27 (1)
Weight, g/mol:	336.99028
ΔH_f, kcal/mol:	-79.07
Dipole, Da:	1.79
IP(EA), eV:	-8.73(2.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(3-bromo-4-chlorophenyl)methylamino]ethylsulfanyl]propan-1-ol

Drug info:

PubChemData

Smile

CC[C@H](CO)NC1CC2CC[C@]1(C2(C)C)C

DOS

IR

Vibrations