Geometry & MOs

Info

ID:	293463
PubChem CID:	117390145
Reduced:	ClO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	254.118591
ΔH_f, kcal/mol:	-120.83
Dipole, Da:	1.99
IP(EA), eV:	-8.78(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chloro-3-methylphenol

Drug info:

PubChemData

Smile

CC1=C2CCCCC2=C(C(=C1CC(C)O)O)Cl

DOS

IR

Vibrations