Geometry & MOs

Info

ID:	263346
PubChem CID:	103358641
Reduced:	ClON2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	313.06774
ΔH_f, kcal/mol:	-51.28
Dipole, Da:	2.97
IP(EA), eV:	-8.88(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3-bromophenyl)-3-hydroxypropyl]-3-methylpyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1(CCN(C1)CCC(C2=CC=CC=C2Cl)N)O

DOS

IR

Vibrations