Geometry & MOs

Info

ID:	377964
PubChem CID:	134224031
Reduced:	ClNO5C23H26 (1)
Stoich.:	ABC5D23E26 (1)
Weight, g/mol:	303.138992
ΔH_f, kcal/mol:	-191.19
Dipole, Da:	9.17
IP(EA), eV:	-9.18(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-3-phenylmethoxyphenyl)-3-methylbutan-2-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)Cl)O[C@@H]4CCOC4)C(C)C

DOS

IR

Vibrations