Geometry & MOs

Info

ID:	144763
PubChem CID:	53409193
Reduced:	BrClNOC12H15 (1)
Stoich.:	ABCDE12F15 (1)
Weight, g/mol:	205.146664
ΔH_f, kcal/mol:	-44.72
Dipole, Da:	1.82
IP(EA), eV:	-8.88(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-ethoxyphenyl)methyl]pyrrolidine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1Cl)C)Br)OC2CCNC2

DOS

IR

Vibrations