Geometry & MOs

Info

ID:	29502
PubChem CID:	834499
Reduced:	ClOSN2C18H21 (1)
Stoich.:	ABCD2E18F21 (1)
Weight, g/mol:	275.107692
ΔH_f, kcal/mol:	1.82
Dipole, Da:	3.38
IP(EA), eV:	-8.28(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-[(2-chlorophenyl)methylamino]-1-phenylpropan-1-ol

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)CNC2=CC(=C(C=C2)N3CCOCC3)Cl

DOS

IR

Vibrations