Geometry & MOs

Info

ID:	383992
PubChem CID:	134976128
Reduced:	Cl2O2C11H18 (1)
Stoich.:	A2B2C11D18 (1)
Weight, g/mol:	241.146664
ΔH_f, kcal/mol:	-123.15
Dipole, Da:	1.02
IP(EA), eV:	-10.19(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R)-3-anilino-1-phenylbutan-1-ol

Drug info:

PubChemData

Smile

CCCCOC(=O)C1(C(C1(Cl)Cl)(C)C)C

DOS

IR

Vibrations