Geometry & MOs

Info

ID:	169274
PubChem CID:	75084261
Reduced:	BrNSO3C15H20 (1)
Stoich.:	ABCD3E15F20 (1)
Weight, g/mol:	217.146664
ΔH_f, kcal/mol:	-112.35
Dipole, Da:	5.1
IP(EA), eV:	-10.02(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-benzylidene-4-methylpyrrolidin-2-yl)ethanol

Drug info:

PubChemData

Smile

C1CCC(CC1)CC2COC3=C(C=CC(=C3)Br)S(=O)(=O)N2

DOS

IR

Vibrations