Geometry & MOs

Info

ID:

421180

PubChem CID:

135115518

Reduced:

SO7N8C40H54 (1)

Stoich.:

AB7C8D40E54 (1)

Weight, g/mol:

293.153955

ΔHf, kcal/mol:

-241.13

Dipole, Da:

11.89

IP(EA), eV:

 -9.18(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(4-fluorophenyl)methyl-methylamino]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(O1)C(=O)N2CCN(C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C3=CSC(=N3)[C@@H](NC(=O)C2)CC4=CC=CC=C4)C)C(C)C)C)C)CN5CCCC5

DOS

IR

Vibrations