Geometry & MOs

Info

ID:	263321
PubChem CID:	103356669
Reduced:	NO3C10H19 (1)
Stoich.:	AB3C10D19 (1)
Weight, g/mol:	253.11365
ΔH_f, kcal/mol:	-160.11
Dipole, Da:	5.85
IP(EA), eV:	-9.13(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-thiophen-2-ylbutan-1-one

Drug info:

PubChemData

Smile

CC1(CCN(C1)CC(C)(C)C(=O)O)O

DOS

IR

Vibrations