Geometry & MOs

Info

ID:	146487
PubChem CID:	53696401
Reduced:	N3O4C14H27 (1)
Stoich.:	A3B4C14D27 (1)
Weight, g/mol:	159.089543
ΔH_f, kcal/mol:	-222.45
Dipole, Da:	5.71
IP(EA), eV:	-9.69(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]propan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1CN(CCC1CC(CN)O)C(=O)O

DOS

IR

Vibrations