Geometry & MOs

Info

ID:	283117
PubChem CID:	103959119
Reduced:	N3C14H19 (1)
Stoich.:	A3B14C19 (1)
Weight, g/mol:	275.107692
ΔH_f, kcal/mol:	40.27
Dipole, Da:	3.52
IP(EA), eV:	-9.0(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-amine

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1N2C(=CC(=N2)C)C)N

DOS

IR

Vibrations