Geometry & MOs

Info

ID:	263317
PubChem CID:	103355648
Reduced:	INSO5C12H14 (1)
Stoich.:	ABCD5E12F14 (1)
Weight, g/mol:	214.168128
ΔH_f, kcal/mol:	-172.91
Dipole, Da:	5.46
IP(EA), eV:	-9.91(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylpentan-1-one

Drug info:

PubChemData

Smile

CC1(CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)I)C(=O)O)O

DOS

IR

Vibrations