Geometry & MOs

Info

ID:	448331
PubChem CID:	135290177
Reduced:	BrClNO2C14H19 (1)
Stoich.:	ABCD2E14F19 (1)
Weight, g/mol:	404.10994
ΔH_f, kcal/mol:	-80.42
Dipole, Da:	6.22
IP(EA), eV:	-8.53(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)-2,2-dimethylpyrrolidin-1-amine

Drug info:

PubChemData

Smile

COCCCOC1=C(C=C(C(=C1)C2CCCN2)Br)Cl

DOS

IR

Vibrations