Geometry & MOs

Info

ID:	433969
PubChem CID:	135174116
Reduced:	NSO2C6H15 (1)
Stoich.:	ABC2D6E15 (1)
Weight, g/mol:	422.07605
ΔH_f, kcal/mol:	-114.34
Dipole, Da:	3.16
IP(EA), eV:	-8.82(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(azetidin-3-ylmethyl)-3-[2-[(2-bromo-4-chlorophenyl)methoxy]phenyl]propan-1-amine

Drug info:

PubChemData

Smile

CC(C)C(N)O[C@H](O)SC

DOS

IR

Vibrations