Geometry & MOs

Info

ID:	294394
PubChem CID:	117458369
Reduced:	ClO4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	284.129156
ΔH_f, kcal/mol:	-169.78
Dipole, Da:	5.34
IP(EA), eV:	-8.93(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-5-chloro-6-methoxy-3-methylphenol

Drug info:

PubChemData

Smile

CCC1=C2C(=C(C=C1CC(C)C(=O)O)Cl)OCCO2

DOS

IR

Vibrations