Geometry & MOs

Info

ID:	448346
PubChem CID:	135290276
Reduced:	N3O6C25H31 (1)
Stoich.:	A3B6C25D31 (1)
Weight, g/mol:	447.14091
ΔH_f, kcal/mol:	-244.16
Dipole, Da:	5.96
IP(EA), eV:	-9.52(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-bromo-5-(3-methoxypropoxy)-4-phenylmethoxyphenyl]-2,2-dimethylpyrrolidine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=CC=C2)OC3=CC(=O)N(C3)[C@H]4CCC(=O)NC4=O

DOS

IR

Vibrations