Geometry & MOs

Info

ID:	29526
PubChem CID:	834731
Reduced:	N2O2H12C15 (1)
Stoich.:	A2B2C12D15 (1)
Weight, g/mol:	309.06872
ΔH_f, kcal/mol:	-31.78
Dipole, Da:	4.44
IP(EA), eV:	-8.61(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-[(2,4-dichlorophenyl)methylamino]-1-phenylpropan-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)N

DOS

IR

Vibrations