Geometry & MOs

Info

ID:	449218
PubChem CID:	135296911
Reduced:	ClON5C25H32 (1)
Stoich.:	ABC5D25E32 (1)
Weight, g/mol:	462.15181
ΔH_f, kcal/mol:	-0.95
Dipole, Da:	5.52
IP(EA), eV:	-8.71(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-bromo-5-(3-methoxypropoxy)-4-phenylmethoxyphenyl]-2,2-dimethylpyrrolidin-1-amine

Drug info:

PubChemData

Smile

CCN1CCC[C@@H](C1)C(C)NC2=C3C=C(C=CC3=NC=C2Cl)C4=CN=C(N=C4)C(C)(C)O

DOS

IR

Vibrations